SMIRKS
[H]N([H])[C:26]([C:25]([C:24]([C@@:22]([C:20]([N:19]([C@:17]([C:15]([N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:61])([H:62])[H:63])([C:29](=[O:30])[O:31][H:59])[H:60])[H:58])=[O:5])([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:32])[N:13]([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:57])[H:56])=[O:16])([C:18]([H:42])([H:43])[H:44])[H:55])[H:54])=[O:21])([N:23]([H])[H:45])[H:53])([H:51])[H:52])([H:49])[H:50])=[O:28]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:32])[N:13]([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([N:14]([C:15](=[O:16])[C@:17]([C:18]([H:42])([H:43])[H:44])([N:19]([C:20](=[O:21])[C@@:22]1([H:53])[N:23]([H:45])[C:26](=[O:28])[C:25]([H:49])([H:50])[C:24]1([H:51])[H:52])[H:54])[H:55])[H:56])[H:57])[H:58])([C:29](=[O:30])[O:31][H:59])[H:60])([H:61])([H:62])[H:63]
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-R2904
[H][N:23]([C@:22]([C:20]([N:19]([C@:17]([C:15]([N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:61])([H:62])[H:63])([C:29](=[O:30])[O:31][H:59])[H:60])[H:58])=[O:5])([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:32])[N:13]([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:57])[H:56])=[O:16])([C:18]([H:42])([H:43])[H:44])[H:55])[H:54])=[O:21])([C:24]([C:25]([C:26]([N:27]([H:47])[H:48])=[O:28])([H:49])[H:50])([H:51])[H:52])[H:53])[H:45]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:32])[N:13]([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([N:14]([C:15](=[O:16])[C@:17]([C:18]([H:42])([H:43])[H:44])([N:19]([C:20](=[O:21])[C@@:22]1([H:53])[N:23]([H:45])[C:26](=[O:28])[C:25]([H:49])([H:50])[C:24]1([H:51])[H:52])[H:54])[H:55])[H:56])[H:57])[H:58])([C:29](=[O:30])[O:31][H:59])[H:60])([H:61])([H:62])[H:63].[H][N:27]([H:47])[H:48]