EVODEX.1-P4364

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:29])[S:16][C@:17]1([H:30])[O:18][C@@:19]([C:20]([O:21][H:31])([H:32])[H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]([O:25][H:37])([H:38])[C@:26]1([O:27][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:28][H:56]>>[C@@:17]1([O:28][H:56])([H:30])[O:18][C@@:19]([C:20]([O:21][H:31])([H:32])[H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]([O:25][H:37])([H:38])[C@:26]1([O:27][H:39])[H:40].[H][S:16][C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E179 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#16:17]-[#6@:18](-[H:37])(-[#8:19])-[#6@:27].[#8:1](-[H:48])-[H]>>[#6:8]-[#16:17]-[H].[#8:1](-[#6@:18](-[H:37])(-[#8:19])-[#6@:27])-[H:48]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N679 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9]-[#16:16]-[#6@:17](-[H:34])(-[#8:18])-[#6@:26].[H]-[#8:30]-[H:54]>>[#8:30](-[#6@:17](-[H:34])(-[#8:18])-[#6@:26])-[H:54].[H]-[#16:16]-[#6:9]

EVODEX.1-Em637 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:9]-[#16:16]-[#6:17](-[#8:18])-[#6:26].[H]-[#8:30]>>[#6:17](-[#8:30])(-[#8:18])-[#6:26].[H]-[#16:16]-[#6:9]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm572 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:9]-[#16:16]-[#6:17](-[#8:18])-[#6:26].[H]-[#8:30]>>[#6:17](-[#8:30])(-[#8:18])-[#6:26].[H]-[#16:16]-[#6:9]

Source Full Reactions

EVODEX.1-R5203

Full Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:29])[S:16][C@:17]1([H:30])[O:18][C@@:19]([C:20]([O:21][H:31])([H:32])[H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]([O:25][H:37])([H:38])[C@:26]1([O:27][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:28][H:56]>>[C@@:17]1([O:28][H:56])([H:30])[O:18][C@@:19]([C:20]([O:21][H:31])([H:32])[H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]([O:25][H:37])([H:38])[C@:26]1([O:27][H:39])[H:40].[H][S:16][C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:29]