SMIRKS
[O:10]=[C:11]([O:12][H:35])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]([H:39]):[C:21]:1[H:40])([H:41])[H:42]>>[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:14].[H]N([H])[C@:13]([H])([C:11](=[O:10])[O:12][H:35])[C:15]([C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]([H:39]):[C:21]:1[H:40])([H:41])[H:42]
Derived Operators
EVODEX.1-F137 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 1 |
| H | 13 |
EVODEX.1-M67 - Mass Difference
131.09469
EVODEX.1-E789 - Reaction Operator E
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](=[#8])-[#8]-[H])=[#8:14])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@:13](-[#6:11]=[#8:10])(-[#6:15])-[H])(-[H])-[H]
EVODEX.1-C455 - Reaction Operator C
[#6:13]=[#8:14]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:14].[H]-[#7](-[H])-[#6@:13]-[H]
EVODEX.1-N552 - Reaction Operator N
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:14].[H]-[#7](-[H])-[#6@:13](-[H])(-[#6:11])-[#6:15]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3642
[H][C@@:5]([C@:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([C:4]([H:22])([H:23])[H:24])[H:29])([N:6]([H:25])[H:26])[C:7](=[O:8])[O:9][H:27].[O:10]=[C:11]([O:12][H:35])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]([H:39]):[C:21]:1[H:40])([H:41])[H:42]>>[C:1]([C:2]([C:3]([C:4]([H:22])([H:23])[H:24])([C:5]([C:7](=[O:8])[O:9][H:27])=[O:14])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][C@@:13]([N:6]([H:25])[H:26])([C:11](=[O:10])[O:12][H:35])[C:15]([C:16]1:[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]([H:39]):[C:21]:1[H:40])([H:41])[H:42]