Methanol → 4-Hydroxy-7-(4-nitro-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][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].[CH3:30][OH:31].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[OH:26][N+:27]([O-:28])=[O:29]>>[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]([N+:27](=[O:26])[O-:28])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
5
Sources & evidence
- ORD record
- ord-6366423b920048b3a693361b7549f9ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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