SMIRKS
[H][C:5](=[O:4])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([F:10]):[C:11]([H:19]):[C:12]:1[H:20]>>[H]O[C@@]([H])(C([H])([H])[H])[C:5](=[O:4])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([F:10]):[C:11]([H:19]):[C:12]:1[H:20]
Derived Operators
EVODEX.1-F213 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 4 |
EVODEX.1-M178 - Mass Difference
44.02622
EVODEX.1-E142 - Reaction Operator E
[#6:2]-[#6:4](=[#8:5])-[H].[#8:11]=[#6:12](-[#6:13])-[H:48]>>[#6:2]-[#6:4](=[#8:5])-[#6:12](-[#8:11]-[H])(-[#6:13])-[H:48]
EVODEX.1-C1141 - Reaction Operator C
[H]-[#6:5]>>[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6:5]
EVODEX.1-N300 - Reaction Operator N
[#8:12]=[#6:13](-[#6:14])-[H:27].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6@@:13](-[#6:2](=[#8:1])-[#6:3])(-[#6:14])-[H:27]
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-R6779
[C:1]([C:2](=[O:3])[H:13])([H:14])([H:15])[H:16].[H][C:5](=[O:4])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([F:10]):[C:11]([H:19]):[C:12]:1[H:20]>>[H][O:3][C@@:2]([C:1]([H:14])([H:15])[H:16])([C:5](=[O:4])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([F:10]):[C:11]([H:19]):[C:12]:1[H:20])[H:13]