SMIRKS
[H][C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]([F:7]):[C:8]:1[H:20])([H:21])[H:22]>>[H]OC(=O)C([H])([H])C([H])(C(=O)O[H])[C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]([F:7]):[C:8]:1[H:20])([H:21])[H:22]
Derived Operators
EVODEX.1-F156 - Elemental Balance
| C | 4 |
| O | 4 |
| H | 4 |
EVODEX.1-M188 - Mass Difference
116.01092
EVODEX.1-E820 - Reaction Operator E
[#6:1](-[#6:2])(-[H:21])(-[H:22])-[H]>>[#6:1](-[#6:2])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:21])-[H:22]
EVODEX.1-C740 - Reaction Operator C
[H]-[#6:1]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#6:1]
EVODEX.1-N946 - Reaction Operator N
[H]-[#6:1](-[#6:2])(-[H:21])-[H:22]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#6:1](-[#6:2])(-[H:21])-[H:22]
Source Full Reactions
EVODEX.1-R6977
[H][C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]([F:7]):[C:8]:1[H:20])([H:21])[H:22].[O:9]=[C:10]([O:11][H:24])[C:12](=[C:13]([C:14](=[O:15])[O:16][H:25])[H:26])[H:27]>>[H][C:12]([C:10](=[O:9])[O:11][H:24])([C:13]([C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]([F:7]):[C:8]:1[H:20])([H:21])[H:22])([C:14](=[O:15])[O:16][H:25])[H:26])[H:27]