SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7]([C:8]([H:17])([H:18])[H:19])=[O:9])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[H][O:13][H:29]>>[C:7]([C:8]([H:17])([H:18])[H:19])(=[O:9])[O:13][H:29]
Derived Operators
EVODEX.1-F276 - Elemental Balance
| C | -6 |
| N | -1 |
| O | -2 |
| H | -13 |
EVODEX.1-M182 - 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-R6262
[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C@:5]([N:6]([C:7]([C:8]([H:17])([H:18])[H:19])=[O:9])[H:20])([C:10](=[O:11])[O:12][H:21])[H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:13][H:29]>>[C:7]([C:8]([H:17])([H:18])[H:19])(=[O:9])[O:13][H:29].[H][N:6]([C@@:5]([C@@:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([C:4]([H:14])([H:15])[H:16])[H:23])([C:10](=[O:11])[O:12][H:21])[H:22])[H:20]