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EVODEX.1-P224

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E285 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#8:2].[#6:4]1:[#6:5]:[#6:6]:[#6:7](-[#8:8]):[#6:9](-[#8:10]):[#6:11]:1>>[#8:1]=[#6:7](-[#6:6]=[#6:5]-[#6:4]=[#6:11]-[#6:9](=[#8:2])-[#8:10])-[#8:8]

EVODEX.1-C1199 - Reaction Operator C

Reaction Operator C SMIRKS

nan

EVODEX.1-N1486 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em212 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:14]=[#8:15].[#8:5]-[#6:6]1:[#6:7]:[#6:8]:[#6:9]:[#6:10]:[#6:12]:1-[#8:13]>>[#8:5]-[#6:6](-[#6:7]=[#6:8]-[#6:9]=[#6:10]-[#6:12](-[#8:13])=[#8:15])=[#8:14]

EVODEX.1-Cm331 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

nan

EVODEX.1-Nm731 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R265

Full Reaction Rendering

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