SMIRKS
[H]OC(=O)C(=O)C([H])=[C:8]([C:7]1:[C:6]([H:20]):[C:5]([H:19]):[C:4]([H:18]):[C:3]([O:2][C:1]([H:25])([H:26])[H:27]):[C:15]:1[O:16][H:24])[H:23].[H][O:17][H]>>[C:1]([O:2][C:3]1:[C:4]([H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([C:8](=[O:17])[H:23]):[C:15]:1[O:16][H:24])([H:25])([H:26])[H:27]
Derived Operators
EVODEX.1-F51 - Elemental Balance
| C | -3 |
| O | -3 |
| H | -4 |
EVODEX.1-M54 - Mass Difference
-88.01602
EVODEX.1-E563 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](=[#8])-[#6](=[#6:8](-[#6:9])-[H:33])-[H].[#8:1](-[H])-[H]>>[#8:1]=[#6:8](-[#6:9])-[H:33]
EVODEX.1-C732 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8].[H]-[#8:1]-[H]>>[#8:1]=[#6:8]
EVODEX.1-N938 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8](-[#6:9])-[H:25].[H]-[#8:1]-[H]>>[#8:1]=[#6:8](-[#6:9])-[H:25]
EVODEX.1-Em746 - Reaction Operator Em
[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8]-[#6:9].[H]-[#8:1]-[H]>>[#8:1]=[#6:8]-[#6:9]
EVODEX.1-Nm675 - Reaction Operator Nm
[#6]-[#6](-[H])=[#6:8]-[#6:9].[H]-[#8:1]-[H]>>[#8:1]=[#6:8]-[#6:9]
Source Full Reactions
EVODEX.1-R6923
[C:1]([O:2][C:3]1:[C:4]([H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([C:8](=[C:9]([C:10](=[O:11])[C:12](=[O:13])[O:14][H:21])[H:22])[H:23]):[C:15]:1[O:16][H:24])([H:25])([H:26])[H:27].[H][O:17][H]>>[C:1]([O:2][C:3]1:[C:4]([H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([C:8](=[O:17])[H:23]):[C:15]:1[O:16][H:24])([H:25])([H:26])[H:27].[H][C:9]([H])([C:10](=[O:11])[C:12](=[O:13])[O:14][H:21])[H:22]