Bicarbonate Ion → 1-[4-[5-(3-Fluoroheptoxy)pyrimidin-2-yl]phenoxy]heptan-2-ol
Reaction equation
[CH3:53][OH:54].[F:1][CH:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][n:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[O:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][O:32]3)[cH:16][cH:17]2)[n:10][cH:11]1)[CH2:33][CH2:34][CH2:35][CH3:36].[Na+:48].[OH:49][C:50](=[O:51])[O-:52].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[F:1][CH:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][n:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[OH:26])[cH:16][cH:17]2)[n:10][cH:11]1)[CH2:33][CH2:34][CH2:35][CH3:36]Participants
6
Sources & evidence
- ORD record
- ord-0ca28d7bb88940e187b92911317eed09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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