EVODEX.1-P187

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E256 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4].[#6:8]-[#6:9](-[#8:10]-[H])(-[#6:11])-[H]>>[#6:1]-[#6:2](-[#8:3]-[H])(-[#6:4])-[H].[#6:8]-[#6:9](=[#8:10])-[#6:11]

EVODEX.1-C192 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:26]-[#8:27]-[H].[#6:10]=[#8:11]>>[#6:26]=[#8:27].[H]-[#6@:10]-[#8:11]-[H]

EVODEX.1-N105 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:26](-[#8:27]-[H])(-[#6:25])-[#6:28].[#6:10](-[#6@@:8])(=[#8:11])-[#6:12]>>[#6:25]-[#6:26](=[#8:27])-[#6:28].[H]-[#6@:10](-[#6@@:8])(-[#8:11]-[H])-[#6:12]

EVODEX.1-Em156 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:26](-[#8:27]-[H])(-[#6:25])-[#6:28].[#6:8]-[#6:10](=[#8:11])-[#6:12]>>[#6:25]-[#6:26](=[#8:27])-[#6:28].[H]-[#6:10](-[#6:8])(-[#8:11]-[H])-[#6:12]

EVODEX.1-Cm172 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:26]-[#8:27]-[H].[#6:10]=[#8:11]>>[#6:26]=[#8:27].[H]-[#6:10]-[#8:11]-[H]

EVODEX.1-Nm178 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:26](-[#8:27]-[H])(-[#6:25])-[#6:28].[#6:8]-[#6:10](=[#8:11])-[#6:12]>>[#6:25]-[#6:26](=[#8:27])-[#6:28].[H]-[#6:10](-[#6:8])(-[#8:11]-[H])-[#6:12]

Source Full Reactions

EVODEX.1-R235

Full Reaction Rendering

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