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EVODEX.1-P2132

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[N:17]([C:18]1:[C:19]([H:30]):[C:20]([H:31]):[C:21]([N+:22](=[O:23])[O-:24]):[C:25]([H:32]):[C:26]:1[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([C:27](=[O:28])[O:29][H:39])[H:40])([H:41])[H:42].[H][N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([C:8](=[O:9])[O:10][H:45])[H:46])[H:43]>>[H][N:17]([C:18]1:[C:19]([H:30]):[C:20]([H:31]):[C:21]([N+:22](=[O:23])[O-:24]):[C:25]([H:32]):[C:26]:1[H:33])[H:34].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:15]([C:14]([C:13]([C@:12]([N:11]([H:41])[H:42])([C:27](=[O:28])[O:29][H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:16])[H:43])([C:8](=[O:9])[O:10][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56]

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-C1230 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:15]-[#7:17].[#6@@:12]).[H]-[#7:7]-[#6@@:6]>>[H]-[#7:17].([#7:7](-[#6@:6])-[#6:15].[#6@:12])

EVODEX.1-N1526 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#7:17](-[#6:18])-[H:34])(-[#6:27])-[H:40].[H]-[#7:7](-[#6@@:6](-[#6:5])(-[#6:8])-[H:46])-[H:43]>>[H]-[#7:17](-[#6:18])-[H:34].[#6:5]-[#6@:6](-[#7:7](-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:27])-[H:40])=[#8:16])-[H:43])(-[#6:8])-[H:46]

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-R2882

Full Reaction Rendering

[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[N:17]([C:18]1:[C:19]([H:30]):[C:20]([H:31]):[C:21]([N+:22](=[O:23])[O-:24]):[C:25]([H:32]):[C:26]:1[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([C:27](=[O:28])[O:29][H:39])[H:40])([H:41])[H:42].[H][N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([C:8](=[O:9])[O:10][H:45])[H:46])[H:43]>>[H][N:17]([C:18]1:[C:19]([H:30]):[C:20]([H:31]):[C:21]([N+:22](=[O:23])[O-:24]):[C:25]([H:32]):[C:26]:1[H:33])[H:34].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:15]([C:14]([C:13]([C@:12]([N:11]([H:41])[H:42])([C:27](=[O:28])[O:29][H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:16])[H:43])([C:8](=[O:9])[O:10][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56]