Acetate → 7-(4-Fluoro-phenoxy)-4-hydroxy-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:27])[c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH3:29][C:30](=[O:31])[O-:32].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[CH3:39][OH:40].[Na+:28]>>[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]([F:26])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
6
Sources & evidence
- ORD record
- ord-de3acb72d35948f18ca68d73d6cc2026
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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