EVODEX.1-P366 - Partial Reaction

SMIRKS

[H][C:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([C:16]([N:17]1[C:18]([H:35])([H:36])[C:19]([H:37])([H:38])[C@:20]1([C:21](=[O:22])[O:23][H:39])[H:40])([H:41])[H:42])[H:43].[H]OC(=O)[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7]>>[H]O[C@:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([C:16]([N:17]1[C:18]([H:35])([H:36])[C:19]([H:37])([H:38])[C@:20]1([C:21](=[O:22])[O:23][H:39])[H:40])([H:41])[H:42])[H:43].[H]O[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7]

Derived Operators

EVODEX.1-F91 - Elemental Balance

-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E665 - Reaction Operator E

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6](=[#8])-[#8]-[H]>>[#6:13]-[#6@:14](-[#8]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8]-[H]

EVODEX.1-C56 - Reaction Operator C

[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6:15]>>[H]-[#8]-[#6:4].[H]-[#8]-[#6:15]

EVODEX.1-N164 - Reaction Operator N

[H]-[#6:8](-[H:25])(-[#6@:4])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6@:8](-[H:25])(-[#6@:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

EVODEX.1-Em246 - Reaction Operator Em

[H]-[#6:8](-[#6:4])-[#6:9].[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6:8](-[#6:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

EVODEX.1-Cm93 - Reaction Operator Cm

[H]-[#6:4].[#6]-[#6:15]>>[#8]-[#6:4].[#8]-[#6:15]

EVODEX.1-Nm244 - Reaction Operator Nm

[H]-[#6:8](-[#6:4])-[#6:9].[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6:8](-[#6:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

Source Full Reactions

EVODEX.1-R375

[H][C:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([C:16]([N:17]1[C:18]([H:35])([H:36])[C:19]([H:37])([H:38])[C@:20]1([C:21](=[O:22])[O:23][H:39])[H:40])([H:41])[H:42])[H:43].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7])=[O:9].[O:32]=[O:33]>>[C:8](=[O:9])=[O:10].[H][O:32][C@:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([C:16]([N:17]1[C:18]([H:35])([H:36])[C:19]([H:37])([H:38])[C@:20]1([C:21](=[O:22])[O:23][H:39])[H:40])([H:41])[H:42])[H:43].[H][O:33][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7]