SMIRKS
[O:11]=[C:12]([O:13][H:32])[C:14]([C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39]>>[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)N([H])[H])=[O:18].[H]N([H])[C@@:17]([H])([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:32])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:19](=[O:20])[O:21][H:33]
Derived Operators
EVODEX.1-F316 - Elemental Balance
| O | 3 |
| C | 5 |
| N | 2 |
| H | 10 |
EVODEX.1-M147 - Mass Difference
146.06920000000002
EVODEX.1-E1093 - Reaction Operator E
[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#8:8]>>[#6:4]-[#6:5](-[#6:7]=[#8:8])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C440 - Reaction Operator C
[#6:14]=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])=[#8:15].[H]-[#7](-[H])-[#6@:14]-[H]
EVODEX.1-N533 - Reaction Operator N
[#6:12]-[#6:14](=[#8:15])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])=[#8:15].[H]-[#7](-[H])-[#6@:14](-[H])(-[#6:12])-[#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-R3774
[H][C@@:6]([C:5]([C:4]([C:2]([N:1]([H:30])[H:31])=[O:3])([H:28])[H:29])([H:26])[H:27])([N:7]([H:22])[H:23])[C:8](=[O:9])[O:10][H:24].[O:11]=[C:12]([O:13][H:32])[C:14]([C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:24])=[O:18])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31].[H][C@:17]([N:7]([H:22])[H:23])([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:32])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:19](=[O:20])[O:21][H:33]