EVODEX.1-P4358

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5200

Full Reaction Rendering

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