SMIRKS
[H]C([H])=C([H])O[C:20]([C:21]([H:23])([H:24])[H:25])=[O:22].[H][O:6][C:5]([C:4]([C:3]([C:2](=[C:1]([H:41])[H:42])[C:9]1:[C:10]([H:38]):[C:11]([H:39]):[C:12]([F:13]):[C:14]([H:40]):[C:15]:1[F:16])([H:36])[H:37])([C:7]([O:8][H:32])([H:33])[H:34])[H:35])([H:30])[H:31]>>[C:1](=[C:2]([C:3]([C:4]([C:5]([O:6][C:20]([C:21]([H:23])([H:24])[H:25])=[O:22])([H:30])[H:31])([C:7]([O:8][H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[C:9]1:[C:10]([H:38]):[C:11]([H:39]):[C:12]([F:13]):[C:14]([H:40]):[C:15]:1[F:16])([H:41])[H:42]
Derived Operators
EVODEX.1-F166 - Elemental Balance
| O | -1 |
| C | -2 |
| H | -4 |
EVODEX.1-M563 - Mass Difference
-44.02622
EVODEX.1-E646 - Reaction Operator E
[#6](=[#6](-[#8]-[#6:4](=[#8:5])-[#6:6])-[H])(-[H])-[H].[#8:8](-[#6:9])-[H]>>[#6:4](=[#8:5])(-[#6:6])-[#8:8]-[#6:9]
EVODEX.1-C510 - Reaction Operator C
[H]-[#6](-[H])=[#6](-[H])-[#8]-[#6:4].[H]-[#8:15]>>[#6:4]-[#8:15]
EVODEX.1-N639 - Reaction Operator N
[H]-[#6](-[H])=[#6](-[H])-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
EVODEX.1-Em605 - Reaction Operator Em
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
EVODEX.1-Nm129 - Reaction Operator Nm
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
Source Full Reactions
EVODEX.1-R4868
[C:17](=[C:18]([O:19][C:20]([C:21]([H:23])([H:24])[H:25])=[O:22])[H:26])([H:27])[H:28].[H][O:6][C:5]([C:4]([C:3]([C:2](=[C:1]([H:41])[H:42])[C:9]1:[C:10]([H:38]):[C:11]([H:39]):[C:12]([F:13]):[C:14]([H:40]):[C:15]:1[F:16])([H:36])[H:37])([C:7]([O:8][H:32])([H:33])[H:34])[H:35])([H:30])[H:31]>>[H][O:19][C:18](=[C:17]([H:27])[H:28])[H:26].[C:1](=[C:2]([C:3]([C:4]([C:5]([O:6][C:20]([C:21]([H:23])([H:24])[H:25])=[O:22])([H:30])[H:31])([C:7]([O:8][H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[C:9]1:[C:10]([H:38]):[C:11]([H:39]):[C:12]([F:13]):[C:14]([H:40]):[C:15]:1[F:16])([H:41])[H:42]