SMIRKS
[O:10]=[C:11]([C:12]1:[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]:1[F:18])[H:23].[H]OC(=O)[C:5]([C:4]([C:2](=[O:1])[O:3][H:24])([H:26])[H:27])=[O:6]>>[H][O:10][C:11]([C:5]([C:4]([C:2](=[O:1])[O:3][H:24])([H:26])[H:27])=[O:6])([C:12]1:[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]:1[F:18])[H:23]
Derived Operators
EVODEX.1-F55 - Elemental Balance
| O | -2 |
| C | -1 |
EVODEX.1-M14 - Mass Difference
-43.9898
EVODEX.1-E573 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#6](=[#8])-[#8]-[H].[#6:14]-[#6:15](=[#8:16])-[H:27]>>[#6:2]-[#6:3](=[#8:4])-[#6:15](-[#6:14])(-[#8:16]-[H])-[H:27]
EVODEX.1-C266 - Reaction Operator C
[#8:10]=[#6:11].[H]-[#8]-[#6](=[#8])-[#6:5]>>[H]-[#8:10]-[#6:11]-[#6:5]
EVODEX.1-N293 - Reaction Operator N
[#8:10]=[#6:11](-[#6:12])-[H:23].[H]-[#8]-[#6](=[#8])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8:10]-[#6:11](-[#6:5](-[#6:4])=[#8:6])(-[#6:12])-[H:23]
EVODEX.1-Em417 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:12].[#8]-[#6](=[#8])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8:10]-[#6:11](-[#6:5](-[#6:4])=[#8:6])-[#6:12]
EVODEX.1-Nm377 - Reaction Operator Nm
[#8:10]=[#6:11]-[#6:12].[#8]-[#6](=[#8])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8:10]-[#6:11](-[#6:5](-[#6:4])=[#8:6])-[#6:12]
Source Full Reactions
EVODEX.1-R1915
[O:10]=[C:11]([C:12]1:[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]:1[F:18])[H:23].[H][O:9][C:7]([C:5]([C:4]([C:2](=[O:1])[O:3][H:24])([H:26])[H:27])=[O:6])=[O:8]>>[C:7](=[O:8])=[O:9].[H][O:10][C:11]([C:5]([C:4]([C:2](=[O:1])[O:3][H:24])([H:26])[H:27])=[O:6])([C:12]1:[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]:1[F:18])[H:23]