SMIRKS
[H]OC(=O)C(=O)C([H])=[C:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21].[H][O:1][H]>>[O:1]=[C:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21]
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-R6902
[O:2]=[C:3]([O:4][H:15])[C:5](=[O:6])[C:7](=[C:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21])[H:22].[H][O:1][H]>>[O:1]=[C:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21].[H][C:7]([H])([C:5]([C:3](=[O:2])[O:4][H:15])=[O:6])[H:22]