SMIRKS
[H]N([H])[C@@:12]([H])([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([O:18][H:26]):[C:19]([H:27]):[C:20]:1[H:28])([H:29])[H:30])[C:21](=[O:22])[O:23][H:31].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)N([H])[H])=[O:7]>>[O:7]=[C:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([O:18][H:26]):[C:19]([H:27]):[C:20]:1[H:28])([H:29])[H:30])[C:21](=[O:22])[O:23][H:31]
Derived Operators
EVODEX.1-F376 - Elemental Balance
| O | -3 |
| C | -5 |
| N | -2 |
| H | -10 |
EVODEX.1-M153 - Mass Difference
-146.06920000000002
EVODEX.1-E1169 - Reaction Operator E
[#6:4]-[#6:5](-[#7](-[H])-[H])(-[#6:7]=[#8:8])-[H].[#7](-[#6](=[#8])-[#6](-[#6](-[#6](=[#8:19])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:4]-[#6:5](-[#6:7]=[#8:8])=[#8:19]
EVODEX.1-C442 - Reaction Operator C
[H]-[#7](-[H])-[#6:12]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])=[#8:7]>>[#8:7]=[#6:12]
EVODEX.1-N535 - Reaction Operator N
[H]-[#7](-[H])-[#6:12](-[H])(-[#6:13])-[#6:15].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])=[#8:7]>>[#8:7]=[#6:12](-[#6:13])-[#6:15]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3795
[H][C@:12]([N:11]([H:33])[H:34])([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([O:18][H:26]):[C:19]([H:27]):[C:20]:1[H:28])([H:29])[H:30])[C:21](=[O:22])[O:23][H:31].[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41]>>[H][C@:6]([C:5]([C:4]([C:2]([N:1]([H:40])[H:41])=[O:3])([H:38])[H:39])([H:36])[H:37])([C:8](=[O:9])[O:10][H:35])[N:11]([H:33])[H:34].[O:7]=[C:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([O:18][H:26]):[C:19]([H:27]):[C:20]:1[H:28])([H:29])[H:30])[C:21](=[O:22])[O:23][H:31]