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EVODEX.1-P227

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([O:8][H:19]):[C:9]([O:10][H:20]):[C:11]:1[H:21])[H:22])([H:23])([H:24])[H:25]>>O=[C:7]([C:6](=[C:5]([C:4]([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:14])([H:15])[H:16])[H:22])=[C:11]([C:9](=O)[O:10][H:20])[H:21])[H:17])[H:18])[O:8][H:19]

Derived Operators

EVODEX.1-F64 - Elemental Balance

O2

EVODEX.1-M19 - Mass Difference

31.9898

EVODEX.1-E605 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]1:[#6:5]:[#6:6]:[#6:7](-[#8:8]):[#6:9](-[#8:10]):[#6:11]:1>>[#8]=[#6:7](-[#6:6]=[#6:5]-[#6:4]=[#6:11]-[#6:9](=[#8])-[#8:10])-[#8:8]

EVODEX.1-C49 - Reaction Operator C

Reaction Operator C SMIRKS

nan

EVODEX.1-N130 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em213 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:5]-[#6:6]1:[#6:7]:[#6:8]:[#6:9]:[#6:10]:[#6:12]:1-[#8:13]>>[#8]=[#6:6](-[#8:5])-[#6:7]=[#6:8]-[#6:9]=[#6:10]-[#6:12](=[#8])-[#8:13]

EVODEX.1-Cm91 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

nan

EVODEX.1-Nm212 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R268

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([O:8][H:19]):[C:9]([O:10][H:20]):[C:11]:1[H:21])[H:22])([H:23])([H:24])[H:25].[O:12]=[O:13]>>[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])([C:4]([C:5](=[C:6]([C:7]([O:8][H:19])=[O:12])[H:18])[H:17])=[C:11]([C:9]([O:10][H:20])=[O:13])[H:21])[H:22])([H:23])([H:24])[H:25]