EVODEX.1-P188

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R236

Full Reaction Rendering

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