SMIRKS
[H][C:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([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])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].O=[O:32]>>[H][O:32][C@@:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([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])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E436 - Reaction Operator E
[#6:7]-[#6:8](-[H:80])(-[H])-[#6:9].[#8:70]=[#8]>>[#6:7]-[#6@:8](-[#8:70]-[H])(-[H:80])-[#6:9]
EVODEX.1-N163 - Reaction Operator N
[H]-[#6:25](-[H:115])(-[#6:3])-[#6@@:26].[#8]=[#8:79]>>[H]-[#8:79]-[#6:25](-[H:115])(-[#6:3])-[#6@@:26]
EVODEX.1-Em245 - Reaction Operator Em
[H]-[#6:25](-[#6:3])-[#6:26].[#8]=[#8:79]>>[H]-[#8:79]-[#6:25](-[#6:3])-[#6:26]
EVODEX.1-Nm243 - Reaction Operator Nm
[H]-[#6:25](-[#6:3])-[#6:26].[#8]=[#8:79]>>[H]-[#8:79]-[#6:25](-[#6:3])-[#6:26]
Source Full Reactions
EVODEX.1-R376
[H][C:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([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])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].[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@@:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([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])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].[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]