Docker build updates

[rwest]

Motivation or Problem

Docker builds were failing due to several issues with Julia/RMS integration and environment configuration. The build process also lacked flexibility for testing different branches and had poor logging visibility in CI environments.

Description of Changes

• Fixed Docker build failures: Biggest fixes are Install Julia, and compile RMG!
• Improved environment variable handling: Added explicit exports for Docker compatibility and set PYTHON_JULIAPKG_PROJECT to ensure Julia packages install in the correct location
• Made RMS branch configurable: Added RMS_BRANCH environment variable with for_rmg as default, allowing different RMS branches to be tested
• Enhanced CI flexibility: Runs Docker build (but not push) on Pull Requests. Updated CI to pass current branch names to Docker build args instead of hardcoded values
• Improved debugging: Added plain Docker build output and debugging echo statements to aid troubleshooting
• Updated test example: Changed to use RMS-enabled example to properly test Julia precompilation
• Reduced docker image size: I assume this helped - I cleaned out some caches etc.

Testing

Continuous integration on GitHub has been used to verify these changes.

Closes #2805

[rwest]

Encountered the exact issue described in SciMLOperators.jl#263 during package precompilation:
WARNING: Method definition islinear(Any) in module SciMLOperators [...] overwritten in module SciMLBase ERROR: Method overwriting is not permitted during Module precompilation
Versions involved:

SciMLOperators v0.3.13
SciMLBase v1.98.1

This is the problematic combination mentioned in the issue - SciMLOperators 0.3.13 added fallbacks that conflict with SciMLBase <= 2.77.2.
Impact: 30 packages failed precompilation (including ReactionMechanismSimulator, DiffEqBase extensions, ModelingToolkit, etc.) but installation continued with fallbacks. Packages may have slower first load times and potential runtime issues.
Workaround needed: Either downgrade SciMLOperators to <0.3.13 or upgrade SciMLBase to >2.77.2, pending the registry restrictions mentioned in the issue comments.
The ⌅ symbols in the package manifest indicate version constraints are preventing automatic resolution of this conflict.
Maybe this is an issue for ReactionMechanismSimulator.jl

Is that enough to make the Docker build to fail?

[Copilot]

Pull Request Overview

This PR fixes issues in the Docker build related to Julia/RMS integration, makes the RMS branch configurable, improves environment variable handling, and enhances CI flexibility and logging.

• install_rms.sh: exports required Julia/PythonCall variables and allows configuring the RMS branch
• Dockerfile: adds Julia 1.10 installation, cleans up caches to reduce image size, and wires in branch args for RMG/RMS
• CI.yml: runs Docker builds on PRs, passes dynamic branch names, and only pushes images on main

Reviewed Changes

Copilot reviewed 3 out of 3 changed files in this pull request and generated no comments.

File	Description
install_rms.sh	Set and export Python/JuliaCall env vars; make RMS branch configurable
Dockerfile	Install Julia via juliaup; clean conda/pip caches; add build args and ENV for RMS
.github/workflows/CI.yml	Enable PR builds, conditional Docker push, and dynamic branch args

Comments suppressed due to low confidence (4)

install_rms.sh:68

• The exit logic always returns failure because print(...) returns None, causing the condition to be false. Split the print and the exit check into separate statements or store the result of Main.seval(...) in a variable before deciding the exit code.

python -c "from juliacall import Main; import sys; sys.exit(0 if Main.seval('Base.identify_package(\"ReactionMechanismSimulator\") !== nothing') and print('ReactionMechanismSimulator is installed in $current_env') is None else 1)"

Dockerfile:15

• To reduce image size and avoid installing unnecessary recommended packages, consider adding --no-install-recommends to the apt-get install command.

RUN apt-get update && \

Dockerfile:51

• The ARG name RMG_Database_Branch uses mixed case but the CI workflow uses RMG_DATABASE_BRANCH. Consider unifying to a single naming convention (e.g., uppercase with underscores) for consistency.

ARG RMG_Database_Branch=main

Dockerfile:29

• [nitpick] Downloading and running an installer script over HTTPs without verification can be risky. Consider validating the installer (e.g., via SHA256 or GPG signature) before execution.

RUN wget -qO- https://install.julialang.org | sh -s -- --yes --default-channel 1.10 && \

[github-actions]

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:50
Reference: Memory used: 2756.31 MB
Current: Memory used: 1950.08 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

aromatics Failed Edge Comparison ❌

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Non-identical thermo! ❌
original: C1=CC2C=CC=1C=C2
tested: C1=CC2C=CC=1C=C2

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
164.90	80.93	22.21	28.97	35.25	40.69	48.70	53.97	64.36
129.39	79.85	22.98	30.09	36.61	42.21	50.22	55.39	65.95

thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + Estimated bicyclic component: polycyclic(s4_6_6_ane) - ring(Cyclohexane) - ring(Cyclohexane) + ring(124cyclohexatriene) + ring(124cyclohexatriene)
thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + Estimated bicyclic component: polycyclic(s4_6_6_ane) - ring(Cyclohexane) - ring(Cyclohexane) + ring(124cyclohexatriene) + ring(1,4-Cyclohexadiene)

Non-identical kinetics! ❌
original:
rxn: [c]1ccccc1(3) + C1=CC2C=C[C]1C=C2(49) <=> benzene(1) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [c]1ccccc1(3) + C1=CC2C=C[C]1C=C2(49) <=> benzene(1) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-3.00	-0.74	0.70	1.71	3.07	3.97	5.33	6.15
k(T):	4.24	4.69	5.05	5.33	5.79	6.14	6.78	7.23

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(9.943,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 38.5 to 41.6 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 38.5 to 41.6 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [H](4) + C1=CC2C=C[C]1C=C2(49) <=> [H][H](11) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [H](4) + C1=CC2C=C[C]1C=C2(49) <=> [H][H](11) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-7.44	-4.08	-2.05	-0.69	1.02	2.06	3.46	4.18
k(T):	5.77	5.83	5.88	5.92	5.97	6.02	6.10	6.16

kinetics: Arrhenius(A=(4.06926e+10,'cm^3/(mol*s)'), n=0.47, Ea=(18.137,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O Multiplied by reaction path degeneracy 3.0 Ea raised from 75.2 to 75.9 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(4.06926e+10,'cm^3/(mol*s)'), n=0.47, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O
Multiplied by reaction path degeneracy 3.0
Ea raised from 75.2 to 75.9 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]=C(7) + C1=CC2C=C[C]1C=C2(49) <=> C=C(13) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]=C(7) + C1=CC2C=C[C]1C=C2(49) <=> C=C(13) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-7.17	-3.66	-1.56	-0.16	1.60	2.65	4.05	4.75
k(T):	4.06	4.76	5.18	5.46	5.81	6.02	6.30	6.44

kinetics: Arrhenius(A=(7.23e+12,'cm^3/(mol*s)'), n=0, Ea=(19.262,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(7.23e+12,'cm^3/(mol*s)'), n=0, Ea=(3.841,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2CC2=C1(27) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2CC2=C1(27) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.48	-21.35	-15.79	-12.03	-7.23	-4.28	-0.16	2.03
k(T):	-4.55	-1.90	-0.23	0.94	2.49	3.50	5.02	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.659,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.063,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=C2C1(29) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=C2C1(29) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-31.23	-21.91	-16.23	-12.40	-7.51	-4.50	-0.31	1.91
k(T):	-5.30	-2.46	-0.68	0.57	2.21	3.28	4.87	5.80

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(48.686,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 202.2 to 203.7 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(13.089,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 53.5 to 54.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 202.2 to 203.7 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 53.5 to 54.8 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2=CC2C1(28) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2=CC2C1(28) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-27.24	-18.91	-13.84	-10.40	-6.02	-3.30	0.48	2.51
k(T):	-1.38	0.48	1.67	2.52	3.68	4.45	5.66	6.39

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(43.208,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 180.2 to 180.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(7.718,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 180.2 to 180.8 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]=CC=C(15) + C1=CC2C=C[C]1C=C2(49) <=> C=CC=C(17) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]=CC=C(15) + C1=CC2C=C[C]1C=C2(49) <=> C=CC=C(17) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-11.95	-7.61	-5.01	-3.27	-1.10	0.20	1.93	2.80
k(T):	-0.49	0.99	1.87	2.46	3.19	3.64	4.23	4.52

kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(23.821,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(8.084,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]=Cc1ccccc1(12) <=> C1=CC2C=CC=1C=C2(79) + C=Cc1ccccc1(16) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]=Cc1ccccc1(12) <=> C1=CC2C=CC=1C=C2(79) + C=Cc1ccccc1(16) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-12.28	-7.86	-5.21	-3.44	-1.23	0.10	1.87	2.75
k(T):	-0.66	0.85	1.76	2.37	3.13	3.58	4.19	4.49

kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(24.273,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(8.328,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C1)C2(69) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C1)C2(69) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.44	-21.32	-15.76	-12.01	-7.22	-4.26	-0.16	2.03
k(T):	-4.51	-1.87	-0.20	0.96	2.51	3.52	5.03	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.606,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.1 to 199.2 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.01,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.5 to 50.2 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.1 to 199.2 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.5 to 50.2 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C2)C1(70) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C2)C1(70) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-32.11	-22.57	-16.76	-12.84	-7.84	-4.76	-0.49	1.78
k(T):	-6.18	-3.12	-1.20	0.13	1.88	3.01	4.70	5.67

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(49.895,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 205.2 to 208.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(14.299,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 56.6 to 59.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 205.2 to 208.8 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 56.6 to 59.8 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2=CC(C=C2)C1(71) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2=CC(C=C2)C1(71) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-33.97	-23.97	-17.88	-13.77	-8.54	-5.32	-0.86	1.50
k(T):	-8.04	-4.52	-2.32	-0.81	1.18	2.46	4.32	5.39

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(52.457,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 214.4 to 219.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(16.86,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 65.8 to 70.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 214.4 to 219.5 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 65.8 to 70.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1C=C2(82) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1C=C2(82) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.48	-21.35	-15.79	-12.03	-7.23	-4.28	-0.16	2.03
k(T):	-4.55	-1.90	-0.23	0.94	2.49	3.50	5.02	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.659,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.063,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1=CC2(83) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1=CC2(83) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-19.49	-12.98	-9.00	-6.29	-2.81	-0.64	2.42	4.08
k(T):	3.96	4.60	5.07	5.43	5.98	6.39	7.11	7.60

kinetics: Arrhenius(A=(51.5097,'cm^3/(mol*s)'), n=3.635, Ea=(33.226,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 9.0 Ea raised from 133.4 to 139.0 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(51.5097,'cm^3/(mol*s)'), n=3.635, Ea=(1.036,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 9.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 9.0
Ea raised from 133.4 to 139.0 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 9.0

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:54
Reference: Memory used: 2862.43 MB
Current: Memory used: 2002.73 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1593 reactions. ❌
The original model has 2 reactions that the tested model does not have. ❌
rxn: CC(C[CH]COO)OO(118) <=> CC(CC[CH]OO)OO(133) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> C[C](CCCOO)OO(132) origin: intra_H_migration
The tested model has 5 reactions that the original model does not have. ❌
rxn: CC(C[CH]COO)OO(115) <=> [OH](22) + CC(CCC=O)OO(116) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(115) <=> [OH](22) + CC(=O)CCCOO(112) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC([O])CC(C)OO(110) + CC([O])CCCOO(122) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CC(C)OO(101) + CC(O)CCCOO(152) origin: Peroxyl_Termination
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CCCOO(112) + CC(O)CC(C)OO(143) origin: Peroxyl_Termination

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:00:57
Reference: Memory used: 2860.71 MB
Current: Memory used: 2036.92 MB

nitrogen Failed Core Comparison ❌

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 359 reactions. ❌
The original model has 1 reactions that the tested model does not have. ❌
rxn: HNO(48) + HCO(13) <=> NO(38) + CH2O(18) origin: H_Abstraction

nitrogen Failed Edge Comparison ❌

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 981 reactions. ❌

Non-identical thermo! ❌
original: O1[C]=N1
tested: O1[C]=N1

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
116.46	53.90	11.62	12.71	13.49	13.96	14.14	13.85	13.58
141.64	58.66	12.26	12.27	12.09	11.96	12.26	12.72	12.15

thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(Cyclopropene) + radical(CdJ-NdO)
thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(oxirene) + radical(CdJ-NdO)
The original model has 2 reactions that the tested model does not have. ❌
rxn: HNO(48) + HCO(13) <=> NO(38) + CH2O(18) origin: H_Abstraction
rxn: HON(T)(83) + HCO(13) <=> NO(38) + CH2O(18) origin: Disproportionation

Non-identical kinetics! ❌
original:
rxn: NCO(66) <=> O1[C]=N1(126) origin: Intra_R_Add_Endocyclic
tested:
rxn: NCO(66) <=> O1[C]=N1(126) origin: Intra_R_Add_Endocyclic

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-49.54	-33.65	-24.16	-17.85	-10.01	-5.35	0.80	3.82
k(T):	-66.25	-46.19	-34.19	-26.21	-16.28	-10.36	-2.54	1.31

kinetics: Arrhenius(A=(6.95187e+18,'s^-1'), n=-1.628, Ea=(88.327,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H""")
kinetics: Arrhenius(A=(6.95187e+18,'s^-1'), n=-1.628, Ea=(111.271,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H""")
Identical kinetics comments:
kinetics: Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:31
Reference: Memory used: 2736.71 MB
Current: Memory used: 1929.36 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:38
Reference: Memory used: 2840.98 MB
Current: Memory used: 2033.77 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:26
Reference: Memory used: 2926.44 MB
Current: Memory used: 2148.93 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:01:17
Reference: Memory used: 3471.72 MB
Current: Memory used: 2228.33 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:01:00:07
Reference: Memory used: 3467.10 MB
Current: Memory used: 3507.73 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 173 reactions. ❌
The original model has 9 species that the tested model does not have. ❌
spc: CCH2
spc: C=CC(18)
spc: CC(=O)CC(C)OO(95)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 7 species that the original model does not have. ❌
spc: CH3
spc: CC[CH]C(C)OO(32)
spc: C[CH]C(CC)OO(37)
spc: [CH2]CC(CC)OO(38)
spc: CCCC(C)O(46)
spc: CCCC=O(94)
spc: C(111)
The original model has 98 reactions that the tested model does not have. ❌
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CC(5) <=> pentane(2) origin: R_Recombination
rxn: C[CH]CCC(11) <=> C[CH2](6) + C=CC(18) origin: R_Addition_MultipleBond
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 69 reactions that the original model does not have. ❌
rxn: [CH3](10) + CCCC=O(94) <=> CCCC(C)[O](41) origin: R_Addition_MultipleBond
rxn: CCCC(C)[O](41) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]O(13) + CCCC(C)[O](41) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: O(42) + C=CCCC(17) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)O(46) <=> OO(23) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) <=> CCCC(C)O[O](20) origin: intra_H_migration
rxn: [O]O(13) + CC[CH]C(C)OO(32) <=> oxygen(1) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)OO(24) origin: H_Abstraction
rxn: OO(23) + CC[CH]C(C)OO(32) <=> [O]O(13) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC[CH]C(C)OO(32) <=> C=CCCC(17) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + CC[CH]C(C)OO(32) <=> C=CCCC(17) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) <=> C[CH]CC(C)OO(34) origin: intra_H_migration
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(CC)O[O](22) <=> [CH2]CC(CC)OO(38) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(38) <=> oxygen(1) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(38) <=> [O]O(13) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(38) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(38) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) <=> CCC(CC)O[O](22) origin: intra_H_migration
rxn: [O]O(13) + C[CH]C(CC)OO(37) <=> oxygen(1) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + C[CH]C(CC)OO(37) <=> [O]O(13) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]C(CC)OO(37) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]C(CC)OO(37) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + C[CH]CCC(11) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [CH2]CC(CC)OO(38) <=> C[CH]C(CC)OO(37) origin: intra_H_migration
rxn: C[CH]C(CC)OO(37) <=> [CH2]CC(CC)OO(38) origin: intra_H_migration
rxn: [CH2]CC(CC)OO(38) <=> C[CH]C(CC)OO(37) origin: intra_H_migration
rxn: [CH2]CC(CC)OO(38) <=> C[CH]C(CC)OO(37) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CCC(C)O(99) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(99) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(99) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(99) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH3](10) + pentane(2) <=> C(111) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH3](10) + pentane(2) <=> C(111) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH3](10) + pentane(2) <=> C(111) + [CH2]CCCC(12) origin: H_Abstraction

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 167 species. ❌
Original model has 2057 reactions.
Test model has 699 reactions. ❌
The original model has 109 species that the tested model does not have. ❌
spc: CC([O])CC(C)OO(99)
spc: CC(O)CC(C)OO(101)
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCC(C)OO(133)
spc: CC(CC(C)([O])O)OO(137)
spc: CC(=O)CC(C)OOO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
The tested model has 28 species that the original model does not have. ❌
spc: C=COCC(129)
spc: CCC=CO(130)
spc: C[CH]CC=O(132)
spc: CCC=CO
spc: [CH2]CCC=O(134)
spc: CCC[C]=O(135)
spc: CCCCO(136)
spc: CCC(C)O(137)
spc: CCO(138)
spc: CCC[CH]O(140)
spc: [CH2]CC(C)O(141)
spc: CC[CH]COO(142)
spc: C[CH]C(C)OO(143)
spc: CCC(C)C=O(144)
spc: CCC1OC1C(145)
spc: CCC=C(C)OO(146)
spc: CCC=COO(147)
spc: C=CC(C)OO(148)
spc: CCC(O)C(C)O
spc: CCC1CCO1(150)
spc: C=CC(CC)OO(151)
spc: CCC([O])CCO(152)
spc: CC=C(CC)OO(153)
spc: CC=COO(154)
spc: CCC([O])C(C)O(155)
spc: CCC(O[O])C(C)OO(159)
spc: CCC(CCO[O])OO(160)
spc: CCC(OO)C(C)OO
The original model has 1452 reactions that the tested model does not have. ❌
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination
The tested model has 94 reactions that the original model does not have. ❌
rxn: [OH](25) + C[CH]CCC(11) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [CH2]CC(CC)OO(38) <=> C[CH]C(CC)OO(37) origin: intra_H_migration
rxn: C[CH]C(CC)OO(37) <=> [CH2]CC(CC)OO(38) origin: intra_H_migration
rxn: [CH2]CC(CC)OO(38) <=> C[CH]C(CC)OO(37) origin: intra_H_migration
rxn: [CH2]CC(CC)OO(38) <=> C[CH]C(CC)OO(37) origin: intra_H_migration
rxn: [CH3](10) + pentane(2) <=> C(111) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH3](10) + pentane(2) <=> C(111) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH3](10) + pentane(2) <=> C(111) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [O]OO(28) + [O]OO(28) <=> oxygen(1) + [O]O(13) + [O]O(13) origin: Peroxyl_Disproportionation
rxn: [O]OO(28) + CCCC(C)OO[O](48) <=> oxygen(1) + [O]O(13) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: [O]OO(28) + CCC(CC)OO[O](49) <=> oxygen(1) + [O]O(13) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: oxygen(1) + [OH](25) <=> [O]OO(28) origin: R_Recombination
rxn: [C-]#[O+](110) + CCC(127) <=> CCCC=O(94) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CCC=O(128) <=> CCCC=O(94) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCC=O(128) <=> CCCC=O(94) origin: 1,2_Insertion_carbene
rxn: C=COCC(129) <=> CCCC=O(94) origin: 1,3_sigmatropic_rearrangement
rxn: CCC=CO(130) <=> CCCC=O(94) origin: Ketoenol
rxn: C=C[O](114) + C[CH2](6) <=> CCCC=O(94) origin: R_Recombination
rxn: [CH3](10) + [CH2]CC=O(131) <=> CCCC=O(94) origin: R_Recombination
rxn: [H](8) + C[CH]CC=O(132) <=> CCCC=O(94) origin: R_Recombination
rxn: [CH]=O(113) + [CH2]CC(5) <=> CCCC=O(94) origin: R_Recombination
rxn: [H](8) + CCC=C[O](133) <=> CCCC=O(94) origin: R_Recombination
rxn: [H](8) + [CH2]CCC=O(134) <=> CCCC=O(94) origin: R_Recombination
rxn: [H](8) + CCC[C]=O(135) <=> CCCC=O(94) origin: R_Recombination
rxn: CCCC=O(94) <=> C=C(50) + C=CO(112) origin: Retroene
rxn: [CH2](3) + CCCCO(136) <=> CCCC(C)O(46) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCC(C)O(137) <=> CCCC(C)O(46) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCC(C)O(137) <=> CCCC(C)O(46) origin: 1,2_Insertion_carbene
rxn: O(42) + CC=CCC(16) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: CCO(138) + C=CC(18) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: [H](8) + CCCC(C)[O](41) <=> CCCC(C)O(46) origin: R_Recombination
rxn: C[CH]O(139) + [CH2]CC(5) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [CH3](10) + CCC[CH]O(140) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [H](8) + CCC[C](C)O(95) <=> CCCC(C)O(46) origin: R_Recombination
rxn: C[CH2](6) + [CH2]C(C)O(126) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [H](8) + CC[CH]C(C)O(96) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [CH3](10) + [CH2]CC(C)O(141) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [H](8) + C[CH]CC(C)O(98) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CCC(97) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [H](8) + [CH2]CCC(C)O(99) <=> CCCC(C)O(46) origin: R_Recombination
rxn: [CH2](3) + CC[CH]COO(142) <=> CC[CH]C(C)OO(32) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + C[CH]C(C)OO(143) <=> CC[CH]C(C)OO(32) origin: 1,2_Insertion_carbene
rxn: CC[CH]C(C)OO(32) <=> [OH](25) + CCC(C)C=O(144) origin: 1,2_shiftC
rxn: [CH2]C(C)C(C)OO(86) <=> CC[CH]C(C)OO(32) origin: 1,2_shiftC
rxn: CC[CH]C(C)OO(32) <=> [OH](25) + CCC1OC1C(145) origin: Cyclic_Ether_Formation
rxn: [H](8) + CCC=C(C)OO(146) <=> CC[CH]C(C)OO(32) origin: R_Addition_MultipleBond
rxn: [H](8) + CC=CC(C)OO(88) <=> CC[CH]C(C)OO(32) origin: R_Addition_MultipleBond
rxn: [CH3](10) + CCC=COO(147) <=> CC[CH]C(C)OO(32) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=CC(C)OO(148) <=> CC[CH]C(C)OO(32) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=CCC(16) <=> CC[CH]C(C)OO(32) origin: R_Addition_MultipleBond
rxn: CC[CH]C(C)OO(32) <=> CCC[C](C)OO(55) origin: intra_H_migration
rxn: [CH2]C(CCC)OO(33) <=> CC[CH]C(C)OO(32) origin: intra_H_migration
rxn: [CH2]CCC(C)OO(35) <=> CC[CH]C(C)OO(32) origin: intra_H_migration
rxn: CC[CH]C(C)OO(32) <=> CCC(O)C(C)[O](149) origin: intra_OH_migration
rxn: [CH2](3) + [CH2]CC(C)OO(57) <=> [CH2]CC(CC)OO(38) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + [CH2]CC(C)OO(57) <=> [CH2]CC(CC)OO(38) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(CC)OO(38) <=> [OH](25) + CCC1CCO1(150) origin: Cyclic_Ether_Formation
rxn: [H](8) + C=CC(CC)OO(151) <=> [CH2]CC(CC)OO(38) origin: R_Addition_MultipleBond
rxn: C=C(50) + CC[CH]OO(58) <=> [CH2]CC(CC)OO(38) origin: R_Addition_MultipleBond
rxn: [CH2]CC(CC)OO(38) <=> CC[C](CC)OO(59) origin: intra_H_migration
rxn: [CH2]CC(CC)OO(38) <=> CCC([O])CCO(152) origin: intra_OH_migration
rxn: [CH2](3) + C[CH]C(C)OO(143) <=> C[CH]C(CC)OO(37) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + C[CH]C(C)OO(143) <=> C[CH]C(CC)OO(37) origin: 1,2_Insertion_carbene
rxn: C[CH]C(CC)OO(37) <=> [OH](25) + CCC(C)C=O(144) origin: 1,2_shiftC
rxn: C[CH]C(CC)OO(37) <=> [OH](25) + CCC1OC1C(145) origin: Cyclic_Ether_Formation
rxn: [H](8) + CC=C(CC)OO(153) <=> C[CH]C(CC)OO(37) origin: R_Addition_MultipleBond
rxn: [H](8) + C=CC(CC)OO(151) <=> C[CH]C(CC)OO(37) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CC=COO(154) <=> C[CH]C(CC)OO(37) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=CCC(16) <=> C[CH]C(CC)OO(37) origin: R_Addition_MultipleBond
rxn: C[CH]C(CC)OO(37) <=> CC[C](CC)OO(59) origin: intra_H_migration
rxn: C[CH]C(CC)OO(37) <=> CCC([O])C(C)O(155) origin: intra_OH_migration
rxn: CO[O](158) <=> oxygen(1) + [CH3](10) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC=O(132) <=> oxygen(1) + CCCC=O(94) origin: H_Abstraction
rxn: [O]O(13) + CCC=C[O](133) <=> oxygen(1) + CCCC=O(94) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC=O(134) <=> oxygen(1) + CCCC=O(94) origin: H_Abstraction
rxn: [O]O(13) + CCC[C]=O(135) <=> oxygen(1) + CCCC=O(94) origin: H_Abstraction
rxn: [O]O(13) + CCC[C](C)O(95) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]C(C)O(96) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)O(98) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(O)CCC(97) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: oxygen(1) + CC[CH]C(C)OO(32) <=> [O]O(13) + CCC=C(C)OO(146) origin: Disproportionation
rxn: oxygen(1) + CC[CH]C(C)OO(32) <=> [O]O(13) + CC=CC(C)OO(88) origin: Disproportionation
rxn: oxygen(1) + CC[CH]C(C)OO(32) <=> CCC(O[O])C(C)OO(159) origin: R_Recombination
rxn: oxygen(1) + [CH2]CC(CC)OO(38) <=> [O]O(13) + C=CC(CC)OO(151) origin: Disproportionation
rxn: oxygen(1) + [CH2]CC(CC)OO(38) <=> CCC(CCO[O])OO(160) origin: R_Recombination
rxn: oxygen(1) + C[CH]C(CC)OO(37) <=> [O]O(13) + CC=C(CC)OO(153) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(CC)OO(37) <=> [O]O(13) + C=CC(CC)OO(151) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(CC)OO(37) <=> CCC(OO)C(C)O[O](161) origin: R_Recombination
rxn: CCC[CH]O(140) + CC[CH]CC(7) <=> CCCC=O(94) + pentane(2) origin: Disproportionation
rxn: CCCC[O](91) + CC[CH]CC(7) <=> CCCC=O(94) + pentane(2) origin: Disproportionation
rxn: CCC[CH]O(140) + C[CH]CCC(11) <=> CCCC=O(94) + pentane(2) origin: Disproportionation
rxn: CCCC[O](91) + C[CH]CCC(11) <=> CCCC=O(94) + pentane(2) origin: Disproportionation
rxn: CCC[CH]O(140) + [CH2]CCCC(12) <=> CCCC=O(94) + pentane(2) origin: Disproportionation
rxn: CCCC[O](91) + [CH2]CCCC(12) <=> CCCC=O(94) + pentane(2) origin: Disproportionation

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

The following observables did not match:

❌ Observable species CCCCC varied by more than 0.100 on average between old model pentane(2) and new model pentane(2) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 1000 s
T0: 600 K
P0: 1 bar
Initial Mole Fractions: {'CCCCC': 0.9, '[O][O]': 0.1}

RMS_CSTR_liquid_oxidation Failed Observable Testing ❌

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:30
Reference: Memory used: 2656.81 MB
Current: Memory used: 1864.17 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:01:42
Reference: Memory used: 3624.92 MB
Current: Memory used: 2400.21 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2840.60 MB
Current: Memory used: 2022.95 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

beep boop this comment was written by a bot 🤖

[rwest]

I think I got it!
Hopefully this works on main too.

[github-actions]

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:50
Reference: Memory used: 2756.31 MB
Current: Memory used: 2187.33 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

aromatics Failed Edge Comparison ❌

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Non-identical thermo! ❌
original: C1=CC2C=CC=1C=C2
tested: C1=CC2C=CC=1C=C2

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
164.90	80.93	22.21	28.97	35.25	40.69	48.70	53.97	64.36
129.39	79.85	22.98	30.09	36.61	42.21	50.22	55.39	65.95

thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + Estimated bicyclic component: polycyclic(s4_6_6_ane) - ring(Cyclohexane) - ring(Cyclohexane) + ring(124cyclohexatriene) + ring(124cyclohexatriene)
thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + Estimated bicyclic component: polycyclic(s4_6_6_ane) - ring(Cyclohexane) - ring(Cyclohexane) + ring(124cyclohexatriene) + ring(1,4-Cyclohexadiene)

Non-identical kinetics! ❌
original:
rxn: [c]1ccccc1(3) + C1=CC2C=C[C]1C=C2(49) <=> benzene(1) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [c]1ccccc1(3) + C1=CC2C=C[C]1C=C2(49) <=> benzene(1) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-3.00	-0.74	0.70	1.71	3.07	3.97	5.33	6.15
k(T):	4.24	4.69	5.05	5.33	5.79	6.14	6.78	7.23

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(9.943,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 38.5 to 41.6 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 38.5 to 41.6 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [H](4) + C1=CC2C=C[C]1C=C2(49) <=> [H][H](11) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [H](4) + C1=CC2C=C[C]1C=C2(49) <=> [H][H](11) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-7.44	-4.08	-2.05	-0.69	1.02	2.06	3.46	4.18
k(T):	5.77	5.83	5.88	5.92	5.97	6.02	6.10	6.16

kinetics: Arrhenius(A=(4.06926e+10,'cm^3/(mol*s)'), n=0.47, Ea=(18.137,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O Multiplied by reaction path degeneracy 3.0 Ea raised from 75.2 to 75.9 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(4.06926e+10,'cm^3/(mol*s)'), n=0.47, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O
Multiplied by reaction path degeneracy 3.0
Ea raised from 75.2 to 75.9 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]=C(7) + C1=CC2C=C[C]1C=C2(49) <=> C=C(13) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]=C(7) + C1=CC2C=C[C]1C=C2(49) <=> C=C(13) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-7.17	-3.66	-1.56	-0.16	1.60	2.65	4.05	4.75
k(T):	4.06	4.76	5.18	5.46	5.81	6.02	6.30	6.44

kinetics: Arrhenius(A=(7.23e+12,'cm^3/(mol*s)'), n=0, Ea=(19.262,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(7.23e+12,'cm^3/(mol*s)'), n=0, Ea=(3.841,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2CC2=C1(27) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2CC2=C1(27) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.48	-21.35	-15.79	-12.03	-7.23	-4.28	-0.16	2.03
k(T):	-4.55	-1.90	-0.23	0.94	2.49	3.50	5.02	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.659,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.063,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=C2C1(29) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=C2C1(29) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-31.23	-21.91	-16.23	-12.40	-7.51	-4.50	-0.31	1.91
k(T):	-5.30	-2.46	-0.68	0.57	2.21	3.28	4.87	5.80

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(48.686,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 202.2 to 203.7 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(13.089,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 53.5 to 54.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 202.2 to 203.7 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 53.5 to 54.8 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2=CC2C1(28) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2=CC2C1(28) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-27.24	-18.91	-13.84	-10.40	-6.02	-3.30	0.48	2.51
k(T):	-1.38	0.48	1.67	2.52	3.68	4.45	5.66	6.39

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(43.208,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 180.2 to 180.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(7.718,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 180.2 to 180.8 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]=CC=C(15) + C1=CC2C=C[C]1C=C2(49) <=> C=CC=C(17) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]=CC=C(15) + C1=CC2C=C[C]1C=C2(49) <=> C=CC=C(17) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-11.95	-7.61	-5.01	-3.27	-1.10	0.20	1.93	2.80
k(T):	-0.49	0.99	1.87	2.46	3.19	3.64	4.23	4.52

kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(23.821,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(8.084,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]=Cc1ccccc1(12) <=> C1=CC2C=CC=1C=C2(79) + C=Cc1ccccc1(16) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]=Cc1ccccc1(12) <=> C1=CC2C=CC=1C=C2(79) + C=Cc1ccccc1(16) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-12.28	-7.86	-5.21	-3.44	-1.23	0.10	1.87	2.75
k(T):	-0.66	0.85	1.76	2.37	3.13	3.58	4.19	4.49

kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(24.273,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(8.328,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C1)C2(69) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C1)C2(69) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.44	-21.32	-15.76	-12.01	-7.22	-4.26	-0.16	2.03
k(T):	-4.51	-1.87	-0.20	0.96	2.51	3.52	5.03	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.606,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.1 to 199.2 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.01,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.5 to 50.2 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.1 to 199.2 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.5 to 50.2 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C2)C1(70) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C2)C1(70) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-32.11	-22.57	-16.76	-12.84	-7.84	-4.76	-0.49	1.78
k(T):	-6.18	-3.12	-1.20	0.13	1.88	3.01	4.70	5.67

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(49.895,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 205.2 to 208.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(14.299,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 56.6 to 59.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 205.2 to 208.8 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 56.6 to 59.8 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2=CC(C=C2)C1(71) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2=CC(C=C2)C1(71) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-33.97	-23.97	-17.88	-13.77	-8.54	-5.32	-0.86	1.50
k(T):	-8.04	-4.52	-2.32	-0.81	1.18	2.46	4.32	5.39

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(52.457,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 214.4 to 219.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(16.86,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 65.8 to 70.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 214.4 to 219.5 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 65.8 to 70.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1C=C2(82) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1C=C2(82) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.48	-21.35	-15.79	-12.03	-7.23	-4.28	-0.16	2.03
k(T):	-4.55	-1.90	-0.23	0.94	2.49	3.50	5.02	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.659,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.063,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1=CC2(83) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1=CC2(83) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-19.49	-12.98	-9.00	-6.29	-2.81	-0.64	2.42	4.08
k(T):	3.96	4.60	5.07	5.43	5.98	6.39	7.11	7.60

kinetics: Arrhenius(A=(51.5097,'cm^3/(mol*s)'), n=3.635, Ea=(33.226,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 9.0 Ea raised from 133.4 to 139.0 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(51.5097,'cm^3/(mol*s)'), n=3.635, Ea=(1.036,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 9.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 9.0
Ea raised from 133.4 to 139.0 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 9.0

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:58
Reference: Memory used: 2862.43 MB
Current: Memory used: 2187.46 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1590 reactions. ✅
The original model has 2 reactions that the tested model does not have. ❌
rxn: C[CH]CC(C)OO(31) <=> [OH](22) + CCCC(C)=O(28) origin: intra_H_migration
rxn: C[CH]CCCOO(63) <=> [OH](22) + CCCCC=O(60) origin: intra_H_migration
The tested model has 2 reactions that the original model does not have. ❌
rxn: C[CH]CC(C)OO(33) <=> CCC[C](C)OO(78) origin: intra_H_migration
rxn: CCCC[CH]OO(96) <=> C[CH]CCCOO(63) origin: intra_H_migration

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:01:00
Reference: Memory used: 2860.71 MB
Current: Memory used: 2404.27 MB

nitrogen Passed Core Comparison ✅

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 360 reactions. ✅

nitrogen Passed Edge Comparison ✅

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 983 reactions. ✅

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:32
Reference: Memory used: 2736.71 MB
Current: Memory used: 2088.77 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:39
Reference: Memory used: 2840.98 MB
Current: Memory used: 2255.37 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:26
Reference: Memory used: 2926.44 MB
Current: Memory used: 2298.79 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:01:21
Reference: Memory used: 3471.72 MB
Current: Memory used: 2288.68 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:22:09
Reference: Memory used: 3467.10 MB
Current: Memory used: 2617.49 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 142 reactions. ❌
The original model has 11 species that the tested model does not have. ❌
spc: CCH2
spc: C=CC(18)
spc: CC(=O)CC(C)OO(95)
spc: CC(CC(C)OO)OO(98)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCC(156)
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 9 species that the original model does not have. ❌
spc: CH3
spc: CC=CCC(16)
spc: [CH2]CC(CC)OO(38)
spc: CCC([O])CC(44)
spc: C[CH]CCCOO(75)
spc: [CH2]CCCCOO(76)
spc: CCCCCO
spc: CCCC=O(88)
spc: CC=CC(C)OO(97)
The original model has 110 reactions that the tested model does not have. ❌
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CC(5) <=> pentane(2) origin: R_Recombination
rxn: C[CH]CCC(11) <=> C[CH2](6) + C=CC(18) origin: R_Addition_MultipleBond
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 50 reactions that the original model does not have. ❌
rxn: [CH3](10) + CCCC=O(88) <=> CCCC(C)[O](41) origin: R_Addition_MultipleBond
rxn: oxygen(1) + C[CH]CCC(11) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + CC[CH]CC(7) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: [O]O(13) + C[CH]CCC(11) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: [O]O(13) + CC[CH]CC(7) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC[CH]CC(7) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CCCC(C)O[O](21) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CCC(CC)O[O](22) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: oxygen(1) + C[CH]CC(C)OO(34) <=> [O]O(13) + CC=CC(C)OO(97) origin: Disproportionation
rxn: CCC(CC)O[O](22) <=> [CH2]CC(CC)OO(38) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(38) <=> oxygen(1) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(38) <=> [O]O(13) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(26) <=> CCCC(C)O[O](21) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(38) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(38) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [OH](24) + CCC(CC)OO(27) <=> O(42) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: [OH](24) + CCCCC[O](79) <=> CCCCCOO(78) origin: R_Recombination
rxn: CCC(CC)OO(27) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(26) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCC(C)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> C[CH]CCCOO(75) origin: intra_H_migration
rxn: [O]O(13) + C[CH]CCCOO(75) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + C[CH]CCCOO(75) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + CCCC(C)OO(26) <=> CCCC(C)O[O](21) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]CCCOO(75) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCCOO(75) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [OH](24) + CCCCCOO(78) <=> O(42) + C[CH]CCCOO(75) origin: H_Abstraction
rxn: [O]O(13) + CCC(CC)O[O](22) <=> oxygen(1) + [OH](24) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCCC(C)O[O](21) <=> oxygen(1) + CCC([O])CC(44) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCC(CC)O[O](22) <=> oxygen(1) + CCC([O])CC(44) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: [OH](24) + CCC([O])CC(44) <=> CCC(CC)OO(27) origin: R_Recombination
rxn: CCC(CC)OO(27) + CCC(CC)OO(27) <=> O(42) + CCC([O])CC(44) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCC(C)OO(26) <=> O(42) + CCC([O])CC(44) + CCCC(C)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOO(78) <=> O(42) + CCC([O])CC(44) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> [CH2]CCCCOO(76) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CCCCOO(76) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + [CH2]CCCCOO(76) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(76) + CCCC(C)OO(26) <=> CCCC(C)O[O](21) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCCCOO(76) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCCOO(76) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [OH](24) + CCCCCOO(78) <=> O(42) + [CH2]CCCCOO(76) origin: H_Abstraction

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 99 species. ❌
Original model has 2057 reactions.
Test model has 386 reactions. ❌
The original model has 149 species that the tested model does not have. ❌
spc: [O]OOO(21)
spc: CCCC(C)OOOO
spc: CCC(CC)OOOO
spc: CCCCCOOOO
spc: CC(CCOO)OO
spc: CC(CCO[O])OO(93)
spc: CC1CC(C)OOO1(94)
spc: CC(=O)CC(C)OO(95)
spc: CC([CH]C(C)OO)OO(96)
spc: [CH2]C(CC(C)OO)OO(97)
spc: CC(CC(C)OO)OO(98)
spc: CC([O])CC(C)OO(99)
spc: CCCCCO(100)
spc: CC(O)CC(C)OO(101)
spc: [C-]#O+
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: C[C]=O(114)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCC(C)OO(133)
spc: CCCCCOOOO(134)
spc: CCCC(C)OOO(135)
spc: CCC[CH]CO(136)
spc: CC(CC(C)([O])O)OO(137)
spc: [O]OO(138)
spc: CCCCCOOO
spc: CC(=O)CC(C)OOO
spc: OOO(141)
spc: CCC(CC)OOO(142)
spc: CCCCCOOO(143)
spc: C[CH]C(144)
spc: C(145)
spc: C=CO(146)
spc: [CH]=O(147)
spc: C=CO
spc: [CH2]CCCO(149)
spc: [CH2]CC=CC(150)
spc: [CH2]CO(151)
spc: C=CCC(C)O(152)
spc: [CH2]C(C)O(153)
spc: CCCOO
spc: CC(O)CCCOO
spc: CCC(156)
spc: C[CH]O(157)
spc: CCO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCC=O(180)
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: [CH2]CC=O(215)
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
spc: COO
The original model has 1671 reactions that the tested model does not have. ❌
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: oxygen(1) + [O]O(13) <=> [O]OOO(21) origin: R_Recombination
rxn: oxygen(1) + CCCC(C)O[O](20) <=> CCCC(C)OOO[O](39) origin: R_Recombination
rxn: oxygen(1) + CCC(CC)O[O](22) <=> CCC(CC)OOO[O](40) origin: R_Recombination
rxn: oxygen(1) + CCCCCO[O](61) <=> CCCCCOOO[O](77) origin: R_Recombination
rxn: C=CC[CH]C(69) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CCC(11) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)O[O](20) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=CCCC(17) + CCC(CC)O[O](22) <=> [CH2]C=CCC(71) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CC[CH]CCOO(64) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCC[CH]COO(63) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> [CH2]CCCC(12) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=CCCC(17) + CCCCCO[O](61) <=> [CH2]C=CCC(71) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CC(C)OO(34) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2](3) + CC(CCOO)O[O](92) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(CCO[O])OO(93) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC1CC(C)OOO1(94) origin: Cyclic_Ether_Formation
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC=CC(C)OO(88) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + C=CCC(C)OO(89) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [CH2]C(CC(C)OO)OO(97) origin: intra_H_migration
rxn: [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: [H](8) + [OH](25) <=> O(42) origin: R_Recombination
rxn: C[CH]CCC(11) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)[O](41) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)=O(31) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC([O])CC(44) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC(=O)CC(36) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: O(42) + C=CCCC(17) <=> CCCCCO(100) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCCC(17) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + [OH](25) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + O(42) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: [O]O(13) + CCCCCO[O](61) <=> CCCCCOOOO(134) origin: R_Recombination
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> OO(23) + CCCC(C)=O(31) origin: Disproportionation
rxn: [O]O(13) + CCCC(C)[O](41) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> CCCC(C)OOO(135) origin: R_Recombination
rxn: CC[CH]CC(7) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)O[O](20) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)O[O](22) <=> CCCC(C)=O(31) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=[C]CCC(73) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> [CH2]C(O)CCC(130) origin: R_Addition_MultipleBond
rxn: [OH](25) + C=CCCC(17) <=> CCC[CH]CO(136) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)[O](41) <=> O(42) + CCCC(C)=O(31) origin: Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC[O](79) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCCCOO(78) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCO[O](61) <=> CCCC(C)=O(31) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]CCC=C(72) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCC(C)O(46) <=> OO(23) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]OO(138) + CCCC(C)O[O](20) <=> oxygen(1) + [O]O(13) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCC(C)[O](41) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCC(C)[O](41) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)[O](41) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: OO(23) + OOO(141) <=> [O]O(13) + [O]O(13) + O(42) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCC(C)OO(24) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCC(C)OOO(135) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OOO(142) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOOO(143) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCC(C)OOO(135) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCCCOOO(143) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOOO(143) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOOO(143) <=> O(42) + CCCCCO[O](61) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + C[CH2](6) <=> [CH2]CC(5) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(5) <=> [H](8) + C=CC(18) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=C(50) <=> [CH2]CC(5) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) <=> [CH2]CC(5) origin: intra_H_migration
rxn: [C-]#[O+](102) + C(145) <=> CC=O(126) origin: 1,2_Insertion_CO
rxn: C=CO(146) <=> CC=O(126) origin: Ketoenol
rxn: [CH]=O(147) + [CH3](10) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C=C[O](148) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C[C]=O(114) <=> CC=O(126) origin: R_Recombination
rxn: [CH2](3) + [CH2]CCCO(149) <=> [CH2]CCC(C)O(132) origin: 1,2_Insertion_carbene
rxn: O(42) + [CH2]CC=CC(150) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: O(42) + [CH2]CCC=C(72) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [CH2]CO(151) + C=CC(18) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [H](8) + C=CCC(C)O(152) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: C=C(50) + [CH2]C(C)O(153) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: [CH2]CCC(C)O(132) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CC[CH]C(C)O(129) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: [CH2]C(O)CCC(130) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: [O]O(13) + C=C[O](148) <=> oxygen(1) + CC=O(126) origin: H_Abstraction
rxn: oxygen(1) + CC=O(126) <=> [O]O(13) + C[C]=O(114) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> CC(O)CCCO[O](155) origin: R_Recombination
rxn: C[CH]O(157) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_CSTR_liquid_oxidation Passed Observable Testing ✅

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2656.81 MB
Current: Memory used: 2158.57 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:01:49
Reference: Memory used: 3624.92 MB
Current: Memory used: 2429.47 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:33
Reference: Memory used: 2840.60 MB
Current: Memory used: 2213.45 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

beep boop this comment was written by a bot 🤖

[rwest]

I think this is ready to merge?

But I notice something strange about the regression test logs (that should not be effected by the changes made in this PR)

3 days ago

RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:01:00:07
Reference: Memory used: 3467.10 MB
Current: Memory used: 3507.73 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Just now, after a rebase (that should have had no significance)

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:22:09
Reference: Memory used: 3467.10 MB
Current: Memory used: 2617.49 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

In both cases the core now has 35 species instead of 37. But the run time is crazy. The "reference" was 6 minutes. 3 days ago it was an hour. Today it is 22 minutes. Why so random??

[JacksonBurns]

In both cases the core now has 35 species instead of 37. But the run time is crazy. The "reference" was 6 minutes. 3 days ago it was an hour. Today it is 22 minutes. Why so random??

Now this is high performance computing

[JacksonBurns]

I see that this builds on the CI and I agree with all the changes. For some stupid reason it won't build on my machine. Give me a minute to diagnose

[JacksonBurns]

I tested with docker buildx build --no-cache --build-arg RMGPy_Branch=docker . and the build works. When running the image in a container the conda environment does not activate correctly - see my comment that fixes this.

There are a couple opinionated changes we could make as well - please feel free to ignore those.

[rwest]

Thanks for your review, and for checking that the docker image actually works (something I wasn't able to do just testing via the CI). I adopted or responded to your other changes/questions. I suggest we rebase (with -i --autosquash) once #2804 is merged.

[JacksonBurns]

@rwest agreed, please rebase when the other PR is merged and set this to automerge

[rwest]

I just anticipated (and tried to fix) another possible problem.

[JacksonBurns]

Latest looks correct to me

[github-actions]

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:49
Reference: Memory used: 2756.31 MB
Current: Memory used: 756.46 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

aromatics Passed Edge Comparison ✅

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:53
Reference: Memory used: 2862.43 MB
Current: Memory used: 846.07 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1593 reactions. ❌
The original model has 4 reactions that the tested model does not have. ❌
rxn: C[CH]CC(C)OO(31) <=> [OH](22) + CCCC(C)=O(28) origin: intra_H_migration
rxn: C[CH]CCCOO(63) <=> [OH](22) + CCCCC=O(60) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> CC(CC[CH]OO)OO(133) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> C[C](CCCOO)OO(132) origin: intra_H_migration
The tested model has 7 reactions that the original model does not have. ❌
rxn: C[CH]CC(C)OO(33) <=> CCC[C](C)OO(81) origin: intra_H_migration
rxn: CCCC[CH]OO(102) <=> C[CH]CCCOO(51) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(115) <=> [OH](22) + CC(CCC=O)OO(116) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(115) <=> [OH](22) + CC(=O)CCCOO(112) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC([O])CC(C)OO(110) + CC([O])CCCOO(122) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CCCOO(152) origin: Peroxyl_Termination
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CCCOO(112) + CC(O)CC(C)OO(143) origin: Peroxyl_Termination

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:00:57
Reference: Memory used: 2860.71 MB
Current: Memory used: 842.33 MB

nitrogen Passed Core Comparison ✅

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 360 reactions. ✅

nitrogen Passed Edge Comparison ✅

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 983 reactions. ✅

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:30
Reference: Memory used: 2736.71 MB
Current: Memory used: 744.82 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:38
Reference: Memory used: 2840.98 MB
Current: Memory used: 843.54 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:24
Reference: Memory used: 2926.44 MB
Current: Memory used: 927.56 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:03:15
Reference: Memory used: 3471.72 MB
Current: Memory used: 2326.82 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:11:54
Reference: Memory used: 3467.10 MB
Current: Memory used: 2777.81 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 146 reactions. ❌
The original model has 11 species that the tested model does not have. ❌
spc: C=CC(18)
spc: CC(=O)CC(C)OO(95)
spc: CC(CC(C)OO)OO(98)
spc: [CH2]CCC(C)O(132)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCC(156)
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 9 species that the original model does not have. ❌
spc: CC=CCC(16)
spc: [CH2]CC(CC)OO(32)
spc: CCC([O])CC(41)
spc: CC[CH]CCOO(74)
spc: C[CH]CCCOO(75)
spc: [CH2]CCCCOO(76)
spc: CCCCCO
spc: CC1CC(C)O1(87)
spc: CC=CC(C)OO(88)
The original model has 112 reactions that the tested model does not have. ❌
rxn: CCCCCO[O](61) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) <=> C[CH2](6) + C=CC(18) origin: R_Addition_MultipleBond
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 56 reactions that the original model does not have. ❌
rxn: oxygen(1) + C[CH]CCC(11) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + CC[CH]CC(7) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + C[CH]CCC(11) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CC[CH]CC(7) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + CC[CH]CC(7) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](22) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CCCC(C)O[O](20) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: oxygen(1) + C[CH]CC(C)OO(37) <=> [O]O(13) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCC(CC)O[O](22) <=> [CH2]CC(CC)OO(32) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(32) <=> oxygen(1) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(32) <=> [O]O(13) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(32) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(32) <=> C=CCCC(17) + CCC(CC)OO(27) origin: Disproportionation
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + [CH2]CC(CC)OO(32) origin: H_Abstraction
rxn: CCCCCO[O](61) <=> C[CH]CCCOO(75) origin: intra_H_migration
rxn: [O]O(13) + C[CH]CCCOO(75) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + C[CH]CCCOO(75) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]CCCOO(75) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCCOO(75) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + C[CH]CCCOO(75) origin: H_Abstraction
rxn: [OH](25) + CCCCC[O](79) <=> CCCCCOO(78) origin: R_Recombination
rxn: CCCC(C)OO(24) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCC(CC)O[O](22) <=> oxygen(1) + [OH](25) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCC(CC)O[O](22) <=> oxygen(1) + CCC([O])CC(41) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCCC(C)O[O](20) <=> oxygen(1) + CCC([O])CC(41) + CCCC(C)[O](44) origin: Peroxyl_Disproportionation
rxn: [OH](25) + CCC([O])CC(41) <=> CCC(CC)OO(27) origin: R_Recombination
rxn: CCC(CC)OO(27) + CCCC(C)OO(24) <=> O(42) + CCC([O])CC(41) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCC(CC)OO(27) <=> O(42) + CCC([O])CC(41) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOO(78) <=> O(42) + CCC([O])CC(41) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC([O])CC(41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> [CH2]CCCCOO(76) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CCCCOO(76) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + [CH2]CCCCOO(76) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(76) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCCCOO(76) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCCOO(76) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + [CH2]CCCCOO(76) origin: H_Abstraction
rxn: CC[CH]CCOO(74) <=> CCCCCO[O](61) origin: intra_H_migration
rxn: [O]O(13) + CC[CH]CCOO(74) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + CC[CH]CCOO(74) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CCOO(74) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC[CH]CCOO(74) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CC[CH]CCOO(74) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + CC[CH]CCOO(74) origin: H_Abstraction
rxn: C[CH]CC(C)OO(37) <=> [OH](25) + CC1CC(C)O1(87) origin: Cyclic_Ether_Formation

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 99 species. ❌
Original model has 2057 reactions.
Test model has 377 reactions. ❌
The original model has 149 species that the tested model does not have. ❌
spc: [O]OOO(21)
spc: CCCC(C)OOOO
spc: CCC(CC)OOOO
spc: CCCCCOOOO
spc: CC(CCOO)OO
spc: CC(CCO[O])OO(93)
spc: CC1CC(C)OOO1(94)
spc: CC(=O)CC(C)OO(95)
spc: CC([CH]C(C)OO)OO(96)
spc: [CH2]C(CC(C)OO)OO(97)
spc: CC(CC(C)OO)OO(98)
spc: CC([O])CC(C)OO(99)
spc: CCCCCO(100)
spc: CC(O)CC(C)OO(101)
spc: [C-]#O+
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: C[C]=O(114)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCC(C)OO(133)
spc: CCCCCOOOO(134)
spc: CCCC(C)OOO(135)
spc: CCC[CH]CO(136)
spc: CC(CC(C)([O])O)OO(137)
spc: [O]OO(138)
spc: CCCCCOOO
spc: CC(=O)CC(C)OOO
spc: OOO(141)
spc: CCC(CC)OOO(142)
spc: CCCCCOOO(143)
spc: C[CH]C(144)
spc: C(145)
spc: C=CO(146)
spc: [CH]=O(147)
spc: C=CO
spc: [CH2]CCCO(149)
spc: [CH2]CC=CC(150)
spc: [CH2]CO(151)
spc: C=CCC(C)O(152)
spc: [CH2]C(C)O(153)
spc: CCCOO
spc: CC(O)CCCOO
spc: CCC(156)
spc: C[CH]O(157)
spc: CCO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCC=O(180)
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: [CH2]CC=O(215)
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
spc: COO
The original model has 1680 reactions that the tested model does not have. ❌
rxn: CCCCCO[O](61) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: oxygen(1) + [O]O(13) <=> [O]OOO(21) origin: R_Recombination
rxn: oxygen(1) + CCCC(C)O[O](20) <=> CCCC(C)OOO[O](39) origin: R_Recombination
rxn: oxygen(1) + CCC(CC)O[O](22) <=> CCC(CC)OOO[O](40) origin: R_Recombination
rxn: oxygen(1) + CCCCCO[O](61) <=> CCCCCOOO[O](77) origin: R_Recombination
rxn: C=CC[CH]C(69) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CCC(11) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)O[O](20) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=CCCC(17) + CCC(CC)O[O](22) <=> [CH2]C=CCC(71) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CC[CH]CCOO(64) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCC[CH]COO(63) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> [CH2]CCCC(12) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[C](C)OO(55) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=CCCC(17) + CCCCCO[O](61) <=> [CH2]C=CCC(71) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CC(C)OO(34) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2](3) + CC(CCOO)O[O](92) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(CCO[O])OO(93) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC1CC(C)OOO1(94) origin: Cyclic_Ether_Formation
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC=CC(C)OO(88) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + C=CCC(C)OO(89) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [CH2]C(CC(C)OO)OO(97) origin: intra_H_migration
rxn: [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: [H](8) + [OH](25) <=> O(42) origin: R_Recombination
rxn: C[CH]CCC(11) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)[O](41) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)=O(31) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC([O])CC(44) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC(=O)CC(36) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: O(42) + C=CCCC(17) <=> CCCCCO(100) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCCC(17) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + [OH](25) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + O(42) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: [O]O(13) + CCCCCO[O](61) <=> CCCCCOOOO(134) origin: R_Recombination
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> OO(23) + CCCC(C)=O(31) origin: Disproportionation
rxn: [O]O(13) + CCCC(C)[O](41) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> CCCC(C)OOO(135) origin: R_Recombination
rxn: CC[CH]CC(7) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)O[O](20) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)O[O](22) <=> CCCC(C)=O(31) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=[C]CCC(73) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> [CH2]C(O)CCC(130) origin: R_Addition_MultipleBond
rxn: [OH](25) + C=CCCC(17) <=> CCC[CH]CO(136) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)[O](41) <=> O(42) + CCCC(C)=O(31) origin: Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC[O](79) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCCCOO(78) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCO[O](61) <=> CCCC(C)=O(31) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]CCC=C(72) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCC(C)O(46) <=> OO(23) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]OO(138) + CCCC(C)O[O](20) <=> oxygen(1) + [O]O(13) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCC(C)[O](41) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCC(C)[O](41) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)[O](41) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: OO(23) + OOO(141) <=> [O]O(13) + [O]O(13) + O(42) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCC(C)OO(24) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCC(C)OOO(135) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OOO(142) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOOO(143) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCC(C)OOO(135) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCCCOOO(143) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOOO(143) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOOO(143) <=> O(42) + CCCCCO[O](61) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + C[CH2](6) <=> [CH2]CC(5) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(5) <=> [H](8) + C=CC(18) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=C(50) <=> [CH2]CC(5) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) <=> [CH2]CC(5) origin: intra_H_migration
rxn: [C-]#[O+](102) + C(145) <=> CC=O(126) origin: 1,2_Insertion_CO
rxn: C=CO(146) <=> CC=O(126) origin: Ketoenol
rxn: [CH]=O(147) + [CH3](10) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C=C[O](148) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C[C]=O(114) <=> CC=O(126) origin: R_Recombination
rxn: [CH2](3) + [CH2]CCCO(149) <=> [CH2]CCC(C)O(132) origin: 1,2_Insertion_carbene
rxn: O(42) + [CH2]CC=CC(150) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: O(42) + [CH2]CCC=C(72) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [CH2]CO(151) + C=CC(18) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [H](8) + C=CCC(C)O(152) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: C=C(50) + [CH2]C(C)O(153) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: [CH2]CCC(C)O(132) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CC[CH]C(C)O(129) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: [CH2]C(O)CCC(130) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: [O]O(13) + C=C[O](148) <=> oxygen(1) + CC=O(126) origin: H_Abstraction
rxn: oxygen(1) + CC=O(126) <=> [O]O(13) + C[C]=O(114) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> CC(O)CCCO[O](155) origin: R_Recombination
rxn: C[CH]O(157) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_CSTR_liquid_oxidation Passed Observable Testing ✅

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:30
Reference: Memory used: 2656.81 MB
Current: Memory used: 699.69 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:03:41
Reference: Memory used: 3624.92 MB
Current: Memory used: 2349.39 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2840.60 MB
Current: Memory used: 848.40 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

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