SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:8]([C:7]([C:4]([C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])([H:36])[H:37])([C:5]([H:21])([H:22])[H:23])[O:6][H:24])([H:34])[H:35])=[O:9])C([H])([H])C([H])([H])C(=O)N([H])[H]>>[H]O[C:8]([C:7]([C:4]([C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])([H:36])[H:37])([C:5]([H:21])([H:22])[H:23])[O:6][H:24])([H:34])[H:35])=[O:9]
Derived Operators
EVODEX.1-F499 - Elemental Balance
| C | -5 |
| N | -2 |
| O | -2 |
| H | -8 |
EVODEX.1-M580 - 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-R6245
[C:1]([C:2]([C:3]([C:4]([C:5]([H:21])([H:22])[H:23])([O:6][H:24])[C:7]([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14]([N:15]([H:25])[H:26])=[O:16])([H:27])[H:28])([H:29])[H:30])([C:17](=[O:18])[O:19][H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:20][H:43]>>[C:1]([C:2]([C:3]([C:4]([C:5]([H:21])([H:22])[H:23])([O:6][H:24])[C:7]([C:8](=[O:9])[O:20][H:43])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][N:10]([C@@:11]([C:12]([C:13]([C:14]([N:15]([H:25])[H:26])=[O:16])([H:27])[H:28])([H:29])[H:30])([C:17](=[O:18])[O:19][H:31])[H:32])[H:33]