SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C:14]([C@:12]([C@:10]([C:8]([N:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])[C:5]([C:6]([C:7]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])=[O:9])([O:11][H:29])[H:37])([O:13][H:30])[H:36])([O:15][H])[H:35]>>[C:1]([C:2]([C:3]([N:4]([C:5]([C:6]([C:7]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[C:8](=[O:9])[C@:10]([O:11][H:29])([C@:12]([O:13][H:30])([C:14](=[O:15])[H:35])[H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44]
Derived Operators
EVODEX.1-F165 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -4 |
EVODEX.1-M175 - Mass Difference
-88.01602
EVODEX.1-E564 - Reaction Operator E
[#6:2]-[#6:4](-[#8:5]-[H])(-[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H:19]>>[#6:2]-[#6:4](=[#8:5])-[H:19]
EVODEX.1-C727 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]
EVODEX.1-N931 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:14](-[#6@:12])(-[#8:15]-[H])-[H:35]>>[#6:14](-[#6@:12])(=[#8:15])-[H:35]
EVODEX.1-Em739 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:14](-[#6:12])-[#8:15]-[H]>>[#6:12]-[#6:14]=[#8:15]
EVODEX.1-Nm668 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:14](-[#6:12])-[#8:15]-[H]>>[#6:12]-[#6:14]=[#8:15]
Source Full Reactions
EVODEX.1-R6962
[H][O:15][C:14]([C@:12]([C@:10]([C:8]([N:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])[C:5]([C:6]([C:7]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])=[O:9])([O:11][H:29])[H:37])([O:13][H:30])[H:36])([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:32])([H:33])[H:34])[H:35]>>[H][C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:32])([H:33])[H:34].[C:1]([C:2]([C:3]([N:4]([C:5]([C:6]([C:7]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[C:8](=[O:9])[C@:10]([O:11][H:29])([C@:12]([O:13][H:30])([C:14](=[O:15])[H:35])[H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44]