SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]1([H:21])[C:10]([H:22])([H:23])[C:11]([H:24])([H:25])[C:12]([H:26])([H:27])[N:13]1[H:28])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[H][O:17][H:38]>>[C:7](=[O:8])([C@:9]1([H:21])[C:10]([H:22])([H:23])[C:11]([H:24])([H:25])[C:12]([H:26])([H:27])[N:13]1[H:28])[O:17][H:38]
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-R5579
[C:1]([C:2]([C@:3]([C:4]([H:18])([H:19])[H:20])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:21])[C:10]([H:22])([H:23])[C:11]([H:24])([H:25])[C:12]([H:26])([H:27])[N:13]1[H:28])[H:29])([C:14](=[O:15])[O:16][H:30])[H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][O:17][H:38]>>[C:7](=[O:8])([C@:9]1([H:21])[C:10]([H:22])([H:23])[C:11]([H:24])([H:25])[C:12]([H:26])([H:27])[N:13]1[H:28])[O:17][H:38].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([C:4]([H:18])([H:19])[H:20])[H:32])([C:14](=[O:15])[O:16][H:30])[H:31])[H:29]