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EVODEX.1-P6498

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E158 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6@@:2](-[#6:3](-[#6:4])(-[H:22])-[H])(-[#6:13]=[#8:14])-[H:25])(-[H:26])-[H:27]>>[#6:2](=[#6:3](-[#6:4])-[H:22])(-[#6:13]=[#8:14])-[H:25].[#7:1](-[H:26])(-[H:27])-[H]

EVODEX.1-C752 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:3]-[#6@:2]-[#7:1]>>[#6:2]=[#6:3].[H]-[#7:1]

EVODEX.1-N959 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6@:2](-[#7:1](-[H:21])-[H:22])(-[#6:10])-[H:20])(-[#6:4])-[H:17]>>[#6:2](=[#6:3](-[#6:4])-[H:17])(-[#6:10])-[H:20].[H]-[#7:1](-[H:21])-[H:22]

EVODEX.1-Em777 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2](-[#7:1])-[#6:10]=[#8:11])-[#6:4]>>[#6:2](=[#6:3]-[#6:4])-[#6:10]=[#8:11].[H]-[#7:1]

EVODEX.1-Cm305 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:3]-[#6:2]-[#7:1]>>[#6:2]=[#6:3].[H]-[#7:1]

EVODEX.1-Nm698 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2](-[#7:1])-[#6:10])-[#6:4]>>[#6:2](=[#6:3]-[#6:4])-[#6:10].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R7080

Full Reaction Rendering

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