EVODEX.1-P4357

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[S:3](=[O:4])([O:5][H:32])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]([O:12][C:13]([C:14]1:[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]:1[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[S:20][C@:21]1([H:46])[O:22][C@@:23]([C:24]([O:25][H:47])([H:48])[H:49])([H:50])[C@:26]([O:27][H:51])([H:52])[C@@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56].[H][O:1][H:57]>>[H][S:20][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:32])[C:9]([C:10]([C:11]([O:12][C:13]([C:14]1:[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]:1[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45].[O:1]([C@:21]1([H:46])[O:22][C@@:23]([C:24]([O:25][H:47])([H:48])[H:49])([H:50])[C@:26]([O:27][H:51])([H:52])[C@@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56])[H:57]

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-R5199

Full Reaction Rendering

[O:2]=[S:3](=[O:4])([O:5][H:32])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]([O:12][C:13]([C:14]1:[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]:1[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[S:20][C@:21]1([H:46])[O:22][C@@:23]([C:24]([O:25][H:47])([H:48])[H:49])([H:50])[C@:26]([O:27][H:51])([H:52])[C@@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56].[H][O:1][H:57]>>[H][S:20][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:32])[C:9]([C:10]([C:11]([O:12][C:13]([C:14]1:[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]:1[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45].[O:1]([C@:21]1([H:46])[O:22][C@@:23]([C:24]([O:25][H:47])([H:48])[H:49])([H:50])[C@:26]([O:27][H:51])([H:52])[C@@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56])[H:57]