SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20])C([H])([H])[H]>>[H]O[C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20]
Derived Operators
EVODEX.1-F138 - Elemental Balance
| O | -1 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M45 - Mass Difference
-71.03715000000001
EVODEX.1-E792 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C613 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]
EVODEX.1-N768 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6@:5])=[#8:11])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6@:5])=[#8:11]
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-R5725
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20])[H:21])([C:13](=[O:14])[O:15][H:22])[H:23])([H:24])([H:25])[H:26].[H][O:16][H:27]>>[C:4](=[O:5])([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20])[O:16][H:27].[H][N:3]([C@@:2]([C:1]([H:24])([H:25])[H:26])([C:13](=[O:14])[O:15][H:22])[H:23])[H:21]