Hydrogen Bromide → 3-(7-hydroxy-1-oxo-1H-isoquinolin-2-yl)-4-methylbenzoic acid
Reaction equation
[BrH:32].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[CH:1]1([NH:2][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:24])[c:15]4[cH:16][c:17]([OH:23])[cH:18][cH:19][c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:25])[CH2:3][CH2:4]1>>[C:5]([c:6]1[cH:7][c:8](-[n:13]2[c:14](=[O:24])[c:15]3[cH:16][c:17]([OH:23])[cH:18][cH:19][c:20]3[cH:21][cH:22]2)[c:9]([CH3:12])[cH:10][cH:11]1)(=[O:25])[OH:28]Participants
4
Sources & evidence
- ORD record
- ord-415f28268fd2434d9ad36897fb20761b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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