Acetonitrile → 1-Bromo-4-hydroxy-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[Br:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][cH:10][c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH3:36][C:37]#[N:38]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:28])[c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
4
Sources & evidence
- ORD record
- ord-a75c1f5d1e564e498f692567d88ee498
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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