SMIRKS
[H]OC(=O)C([H])(N([H])[H])C([H])([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]>>[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-E793 - Reaction Operator E
[#6:8]-[#6:9](=[#8:10])-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#6:8]-[#6:9](=[#8:10])-[#8]-[H]
EVODEX.1-C724 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:9]>>[H]-[#8]-[#6:9]
EVODEX.1-N895 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
EVODEX.1-Em136 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
EVODEX.1-Nm166 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
Source Full Reactions
EVODEX.1-R6680
[N:1]([C:2]([C: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])[H:22])([C:13](=[O:14])[O:15][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][C:3]([C:2]([N:1]([H:25])[H:26])([C:13](=[O:14])[O:15][H:23])[H:24])([H:21])[H:22]