Bicarbonate Ion → 4-(4-Bromo-phenyl)-3,5-dimethyl-isoxazole
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[CH3:11][c:12]1[n:13][o:14][c:15]([CH3:18])[c:16]1[I:17].[CH3:24][O:25][CH2:26][CH2:27][O:28][CH3:29].[Na+:23].[O-:19][C:20]([OH:21])=[O:22].[OH2:30]>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:16]2[c:12]([CH3:11])[n:13][o:14][c:15]2[CH3:18])[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-dbb8641b36b247308b1b62339723dc28
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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