SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:6](=[O:7])[C:8]([Cl:9])([H:15])[H:16])[C@]([H])(O[H])C([H])([H])[H]>>[H]O[C:6](=[O:7])[C:8]([Cl:9])([H:15])[H:16]
Derived Operators
EVODEX.1-F310 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M85 - Mass Difference
-101.04771
EVODEX.1-E984 - Reaction Operator E
[#6](-[#6@@](-[#8]-[H])(-[#6@](-[#7](-[#6:6](=[#8:7])-[#6:8])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[#8]-[H]
EVODEX.1-C624 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:6])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:6]
EVODEX.1-N779 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:6](=[#8:7])-[#6:8])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:6](=[#8:7])-[#6:8]
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-R6279
[C:1]([C@@:2]([O:3][H:14])([C@:4]([N:5]([C:6](=[O:7])[C:8]([Cl:9])([H:15])[H:16])[H:17])([C:10](=[O:11])[O:12][H:18])[H:19])[H:20])([H:21])([H:22])[H:23].[H][O:13][H:24]>>[C:6](=[O:7])([C:8]([Cl:9])([H:15])[H:16])[O:13][H:24].[H][N:5]([C@@:4]([C@@:2]([C:1]([H:21])([H:22])[H:23])([O:3][H:14])[H:20])([C:10](=[O:11])[O:12][H:18])[H:19])[H:17]