SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([S:13][C:14]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[H][O:18][H:41]>>[C:7](=[O:8])([C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([S:13][C:14]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])[O:18][H:41]
Derived Operators
EVODEX.1-F265 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -1 |
| H | -13 |
EVODEX.1-M88 - Mass Difference
-131.09469
EVODEX.1-E1003 - Reaction Operator E
[#6](-[#6](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](-[#6:8])=[#8:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:13](-[H:29])-[H]>>[#6:7](-[#6:8])(=[#8:9])-[#8:13]-[H:29]
EVODEX.1-C594 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:13]>>[#6:7]-[#8:13]
EVODEX.1-N751 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](-[#6:8])=[#8:9])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:13]-[H:29]>>[#6:7](-[#6:8])(=[#8:9])-[#8:13]-[H:29]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5575
[C:1]([C:2]([C@:3]([C:4]([H:19])([H:20])[H:21])([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([S:13][C:14]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])[H:32])([C:15](=[O:16])[O:17][H:33])[H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:18][H:41]>>[C:7](=[O:8])([C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([S:13][C:14]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])[O:18][H:41].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([C:4]([H:19])([H:20])[H:21])[H:35])([C:15](=[O:16])[O:17][H:33])[H:34])[H:32]