SMIRKS
[H]N([H])[C:15]([C:14]([C:13]([C@@:11]([C:9]([N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:39])([H:40])[H:41])([C:18]([N:19]([H:36])[H:37])=[O:20])[H:38])[H:35])=[O:5])([C:7]([H:21])([H:22])[H:23])[H:34])[H:33])=[O:10])([N:12]([H])[H:24])[H:32])([H:30])[H:31])([H:28])[H:29])=[O:17]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:21])([H:22])[H:23])([N:8]([C:9](=[O:10])[C@@:11]1([H:32])[N:12]([H:24])[C:15](=[O:17])[C:14]([H:28])([H:29])[C:13]1([H:30])[H:31])[H:33])[H:34])[H:35])([C:18]([N:19]([H:36])[H:37])=[O:20])[H:38])([H:39])([H:40])[H:41]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E622 - Reaction Operator E
([#7:9](-[#6@@:8])(-[H:26])-[H].[#6:11]-[#6:12](-[#7](-[H])-[H])=[#8:14])>>[#7:9](-[#6@@:8])(-[H:26])-[#6:12](=[#8:14])-[#6:11]
EVODEX.1-C185 - Reaction Operator C
([H]-[#7](-[H])-[#6@:10].[#7:15]-[H].[#6@@:6])>>([#7:15]-[#6@:10].[#6@:6])
EVODEX.1-N430 - Reaction Operator N
([H]-[#7](-[H])-[#6:16](-[#6:15])=[#8:18].[#7:9]-[#6@@:8](-[#6:7])(-[#6:19])-[H:77].[#7:13](-[#6@@:12])(-[H])-[H:47])>>([#6:7]-[#6@:8](-[#7:9])(-[#6:19])-[H:77].[#7:13](-[#6@@:12])(-[H:47])-[#6:16](=[#8:18])-[#6:15])
EVODEX.1-Em474 - Reaction Operator Em
([H]-[#7](-[H])-[#6:16](-[#6:15])=[#8:18].[#6:12]-[#7:13]-[H])>>[#6:12]-[#7:13]-[#6:16](=[#8:18])-[#6:15]
EVODEX.1-Nm425 - Reaction Operator Nm
([H]-[#7](-[H])-[#6:16](-[#6:15])=[#8:18].[#6:12]-[#7:13]-[H])>>[#6:12]-[#7:13]-[#6:16](=[#8:18])-[#6:15]
Source Full Reactions
EVODEX.1-R2908
[H][N:12]([C@:11]([C:9]([N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:39])([H:40])[H:41])([C:18]([N:19]([H:36])[H:37])=[O:20])[H:38])[H:35])=[O:5])([C:7]([H:21])([H:22])[H:23])[H:34])[H:33])=[O:10])([C:13]([C:14]([C:15]([N:16]([H:26])[H:27])=[O:17])([H:28])[H:29])([H:30])[H:31])[H:32])[H:24]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:21])([H:22])[H:23])([N:8]([C:9](=[O:10])[C@@:11]1([H:32])[N:12]([H:24])[C:15](=[O:17])[C:14]([H:28])([H:29])[C:13]1([H:30])[H:31])[H:33])[H:34])[H:35])([C:18]([N:19]([H:36])[H:37])=[O:20])[H:38])([H:39])([H:40])[H:41].[H][N:16]([H:26])[H:27]