Acetate → 4-Hydroxy-7-phenoxy-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: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].[CH3:28][C:29](=[O:30])[O-:31].[CH3:32][OH:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Na+:27]>>[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][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
6
Sources & evidence
- ORD record
- ord-651144a40710476abd24c0d41db6781d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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