Ethanol → 1-Bromo-4-hydroxy-7-phenoxyisoquinoline-3-carboxylic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:26])[c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH3:29][CH2:30][OH:31].[Na+:28].[OH-:27]>>[O:5]=[C:6]([OH:7])[c:8]1[n:9][c:10]([Br:26])[c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
5
Sources & evidence
- ORD record
- ord-250eaa13a14a473eb3035b987c97ce9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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