Chloride → 1-Monofluoro-2-decyl 4-octyloxybiphenyl-4'-carboxylate
Reaction equation
[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:29][c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][cH:38][c:39]([C:42](=[O:43])[OH:44])[cH:40][cH:41]2)[cH:34][cH:35]1.[CH2:45]([Cl:46])[Cl:47].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[Cl-:20].[F:1][CH2:2][CH:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[OH:12].[OH2:48]>>[F:1][CH2:2][CH:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[O:12][C:42]([c:39]1[cH:38][cH:37][c:36](-[c:33]2[cH:32][cH:31][c:30]([O:29][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:35][cH:34]2)[cH:41][cH:40]1)=[O:43]Participants
7
Sources & evidence
- ORD record
- ord-842b8cc781664e2f8fc7cc19712e6e41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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