SMIRKS
[O:7]=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24]>>[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24].[H][O:7][H]
Derived Operators
EVODEX.1-F56 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 4 |
EVODEX.1-M31 - Mass Difference
88.01602
EVODEX.1-E585 - Reaction Operator E
[#8:7]=[#6:8](-[#6:9])-[H:36]>>[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(=[#6:8](-[#6:9])-[H:36])-[H].[#8:7](-[H])-[H]
EVODEX.1-C736 - Reaction Operator C
[#8:7]=[#6:8]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8].[H]-[#8:7]-[H]
EVODEX.1-N942 - Reaction Operator N
[#8:7]=[#6:8](-[#6:9])-[H:29]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8](-[#6:9])-[H:29].[H]-[#8:7]-[H]
EVODEX.1-Em750 - Reaction Operator Em
[#8:7]=[#6:8]-[#6:9]>>[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8]-[#6:9].[H]-[#8:7]-[H]
EVODEX.1-Nm679 - Reaction Operator Nm
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])=[#6:8]-[#6:9].[H]-[#8:7]-[H]
Source Full Reactions
EVODEX.1-R6911
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].[O:7]=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:8]([C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[Cl:15])[H:24])[H:17].[H][O:7][H]