EVODEX.1-P4368

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5207

Full Reaction Rendering

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