EVODEX Logo

EVODEX.1-P2136

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:25])([H:26])[H:27])[H:28].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C:13]1:[C:14]([H:30]):[C:15]([H:31]):[C:16]([N+:17](=[O:18])[O-:19]):[C:20]([H:32]):[C:21]:1[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42]>>[H][N:12]([C:13]1:[C:14]([H:30]):[C:15]([H:31]):[C:16]([N+:17](=[O:18])[O-:19]):[C:20]([H:32]):[C:21]:1[H:33])[H:34].[N:1]([C:2]([C:3](=[O:4])[O:5][H:25])([H:26])[H:27])([C:10]([C:9]([C:8]([C@:7]([N:6]([H:41])[H:42])([C:22](=[O:23])[O:24][H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:11])[H:28]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E301 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:19](-[#6@:18])(-[H:55])-[H].[#7:35]-[#6@@:36](-[#6:37]-[#6:38]-[#6:39](=[#8:40])-[#7:41](-[#6@@:42])-[H:103])(-[#6:52])-[H:109]>>[#7:19](-[#6@:18])(-[#6:39](-[#6:38]-[#6:37]-[#6@:36](-[#7:35])(-[#6:52])-[H:109])=[#8:40])-[H:55].[#7:41](-[#6@@:42])(-[H:103])-[H]

EVODEX.1-C1058 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1].([#6:10]-[#7:12].[#6@@:7])>>[H]-[#7:12].([#7:1]-[#6:10].[#6@:7])

EVODEX.1-N1305 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6:2])-[H:28].[#7:6]-[#6@@:7](-[#6:8]-[#6:9]-[#6:10](=[#8:11])-[#7:12](-[#6:13])-[H:34])(-[#6:22])-[H:40]>>[H]-[#7:12](-[#6:13])-[H:34].[#7:1](-[#6:2])(-[#6:10](-[#6:9]-[#6:8]-[#6@:7](-[#7:6])(-[#6:22])-[H:40])=[#8:11])-[H:28]

EVODEX.1-Em97 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:22]-[#6:23](=[#8:24])-[#7:25]-[#6:26].[H]-[#7:85]-[#6:86]>>[#6:22]-[#6:23](=[#8:24])-[#7:85]-[#6:86].[H]-[#7:25]-[#6:26]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm130 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:22]-[#6:23](=[#8:24])-[#7:25]-[#6:26].[H]-[#7:85]-[#6:86]>>[#6:22]-[#6:23](=[#8:24])-[#7:85]-[#6:86].[H]-[#7:25]-[#6:26]

Source Full Reactions

EVODEX.1-R2885

Full Reaction Rendering

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:25])([H:26])[H:27])[H:28].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C:13]1:[C:14]([H:30]):[C:15]([H:31]):[C:16]([N+:17](=[O:18])[O-:19]):[C:20]([H:32]):[C:21]:1[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42]>>[H][N:12]([C:13]1:[C:14]([H:30]):[C:15]([H:31]):[C:16]([N+:17](=[O:18])[O-:19]):[C:20]([H:32]):[C:21]:1[H:33])[H:34].[N:1]([C:2]([C:3](=[O:4])[O:5][H:25])([H:26])[H:27])([C:10]([C:9]([C:8]([C@:7]([N:6]([H:41])[H:42])([C:22](=[O:23])[O:24][H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:11])[H:28]