Bicarbonate Ion → 4-[5-Fluoro-3-[4-(2-methylimidazol-1-yl)benzyloxy]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-thiocarboxamide
Reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[F:1][c:2]1[cH:3][c:4]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH:29]3)[cH:23][cH:24]2)[cH:5][c:6]([C:8]2([C:14](=[O:15])[NH2:16])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[Na+:49].[P:31]12(=[S:32])[S:33][P:34]3(=[S:44])[S:35][P:36](=[S:42])([S:37][P:38](=[S:41])([S:39]3)[S:40]1)[S:43]2>>[F:1][c:2]1[cH:3][c:4]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH:29]3)[cH:23][cH:24]2)[cH:5][c:6]([C:8]2([C:14]([NH2:16])=[S:32])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-bb7d0e3ab21c477aa126b88846df432b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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