SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])C([H])([H])C([H])([H])C(=O)N([H])[H]>>[H]O[C:8](=[O:9])[C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25]
Derived Operators
EVODEX.1-F381 - Elemental Balance
| O | -2 |
| C | -5 |
| N | -2 |
| H | -8 |
EVODEX.1-M180 - Mass Difference
-128.05864
EVODEX.1-E1176 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8]-[H]
EVODEX.1-C559 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#8]-[#6:8]
EVODEX.1-N712 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:8](=[#8:9])-[#6:10])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5429
[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])[H:26])([C:16](=[O:17])[O:18][H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34].[H][O:19][H:35]>>[C:8](=[O:9])([C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])[O:19][H:35].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:33])[H:34])=[O:3])([H:31])[H:32])([H:29])[H:30])([C:16](=[O:17])[O:18][H:27])[H:28])[H:26]