EVODEX.1-P4414

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:31][H:54]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([C:25](=[O:26])[O:27][H:45])([O:31][H:54])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E226 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:13]-[#6@:14](-[#8:15]-[#6:16])(-[#6:22])-[#6:25].[#8:28](-[H:52])-[H]>>[#8:13]-[#6@:14](-[#6:22])(-[#8:28]-[H:52])-[#6:25].[#8:15](-[#6:16])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1131 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#6@@:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]-[H:75]>>[#8:13]-[#6@@:14](-[#6:36])(-[#8:42]-[H:75])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Em633 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm568 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

Source Full Reactions

EVODEX.1-R5250

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([O:15][C:16]2:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:2[H:44])([C:25](=[O:26])[O:27][H:45])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:31][H:54]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:32])[C@@:6]([C@:7]([O:8][H:33])([C@:9]([O:10][H:34])([C:11]([O:12][H:35])([H:36])[H:37])[H:38])[H:39])([H:40])[O:13][C@@:14]([C:25](=[O:26])[O:27][H:45])([O:31][H:54])[C:28]([H:46])([H:47])[C@@:29]1([O:30][H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:15][C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:43]):[C:24]:1[H:44]