3-Carboxyphenylboronic acid → 3-{6-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-methylsulfanyl-pyrimidin-4-yl}-benzoic acid
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[Cl:13][c:14]1[cH:15][c:16]([NH:22][CH2:23][CH2:24][c:25]2[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[n:17][c:18]([S:20][CH3:21])[n:19]1>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6](-[c:14]2[cH:15][c:16]([NH:22][CH2:23][CH2:24][c:25]3[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[n:17][c:18]([S:20][CH3:21])[n:19]2)[cH:7][cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-01da90744abb4e229e3e74f4acf4120f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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