Bicarbonate Ion → 1-[4,4-Bis-(4-fluorophenyl)butyl]-4-(2,3,4,5,6-pentafluorophenoxy)piperidine
Reaction equation
[C:1](=[O:2])([OH:3])[O-:4].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[F:24][c:25]1[cH:26][cH:27][c:28]([CH:31]([CH2:32][CH2:33][CH2:34][Cl:35])[c:36]2[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]2)[cH:29][cH:30]1.[F:6][c:7]1[c:8]([O:9][CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]([F:23])[c:17]([F:22])[c:18]([F:21])[c:19]1[F:20].[Na+:5]>>[F:6][c:7]1[c:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:34][CH2:33][CH2:32][CH:31]([c:28]3[cH:27][cH:26][c:25]([F:24])[cH:30][cH:29]3)[c:36]3[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]3)[CH2:14][CH2:15]2)[c:16]([F:23])[c:17]([F:22])[c:18]([F:21])[c:19]1[F:20]Participants
6
Sources & evidence
- ORD record
- ord-64b830d2a3d84084a5eeba2a5ebaa2c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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