SMIRKS
[O:9]=[C:10]([O:11][H:35])[C:12](=[O:13])[C:14]([C:15]1:[C:16]([H:36]):[N:17]([H:37]):[C:18]2:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]:1:2)([H:42])[H:43]>>[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])[H])=[O:13].[H]N([H])[C@:12]([H])([C:10](=[O:9])[O:11][H:35])[C:14]([C:15]1:[C:16]([H:36]):[N:17]([H:37]):[C:18]2:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]:1:2)([H:42])[H:43]
Derived Operators
EVODEX.1-F146 - Elemental Balance
| O | 2 |
| C | 5 |
| N | 1 |
| H | 11 |
EVODEX.1-M116 - Mass Difference
117.07903
EVODEX.1-E805 - Reaction Operator E
[#6:14]-[#6:15](=[#8:16])-[#6:17]=[#8:18]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](=[#8])-[#8]-[H])=[#8:16])-[H])(-[H])(-[H])-[H].[#7](-[#6:15](-[#6:14])(-[#6:17]=[#8:18])-[H])(-[H])-[H]
EVODEX.1-C445 - Reaction Operator C
[#6:14]=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:15].[H]-[#7](-[H])-[#6@@:14]-[H]
EVODEX.1-N542 - Reaction Operator N
[#6:13]-[#6:14](=[#8:15])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:15].[H]-[#7](-[H])-[#6@@:14](-[H])(-[#6:13])-[#6:16]
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-R3644
[H][C@@:4]([C:2]([C:1]([H:32])([H:33])[H:34])([C:3]([H:24])([H:25])[H:26])[H:31])([N:5]([H:27])[H:28])[C:6](=[O:7])[O:8][H:29].[O:9]=[C:10]([O:11][H:35])[C:12](=[O:13])[C:14]([C:15]1:[C:16]([H:36]):[N:17]([H:37]):[C:18]2:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]:1:2)([H:42])[H:43]>>[C:1]([C:2]([C:3]([H:24])([H:25])[H:26])([C:4]([C:6](=[O:7])[O:8][H:29])=[O:13])[H:31])([H:32])([H:33])[H:34].[H][C@@:12]([N:5]([H:27])[H:28])([C:10](=[O:9])[O:11][H:35])[C:14]([C:15]1:[C:16]([H:36]):[N:17]([H:37]):[C:18]2:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]:1:2)([H:42])[H:43]