SMIRKS
[O:11]=[C:12]([C:13]1:[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]([H:23]):[C:18]:1[F:19])[H:24]>>[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C@:12]([O:11][H])([C:13]1:[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]([H:23]):[C:18]:1[F:19])[H:24]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E778 - Reaction Operator E
[#6:10]-[#6:11](=[#8:12])-[H:23]>>[#6:10]-[#6@@:11](-[#8:12]-[H])(-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:23]
EVODEX.1-C271 - Reaction Operator C
[#6:11]=[#8:12]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:11]-[#8:12]-[H]
EVODEX.1-N298 - Reaction Operator N
[#6:10]-[#6:11](=[#8:12])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:11](-[#6:10])(-[#8:12]-[H])-[H:23]
EVODEX.1-Em56 - Reaction Operator Em
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
EVODEX.1-Nm71 - Reaction Operator Nm
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
Source Full Reactions
EVODEX.1-R1914
[O:11]=[C:12]([C:13]1:[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]([H:23]):[C:18]:1[F:19])[H:24].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:25])([H:29])[H:30])([H:27])[H:28])=[O:7])=[O:9]>>[C:8](=[O:9])=[O:10].[H][O:11][C@@:12]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:25])([H:29])[H:30])([H:27])[H:28])=[O:7])([C:13]1:[C:14]([H:20]):[C:15]([H:21]):[C:16]([H:22]):[C:17]([H:23]):[C:18]:1[F:19])[H:24]