Isopropanol → 4-(6-Methyl-5-nitroisoquinolin-1-ylamino)benzonitrile
Reaction equation
[CH:32]([OH:33])([CH3:34])[CH3:35].[Cl:10][c:11]1[n:12][cH:13][cH:14][c:15]2[c:16]([N+:22](=[O:23])[O-:24])[c:17]([CH3:21])[cH:18][cH:19][c:20]12.[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[c:11]1[n:12][cH:13][cH:14][c:15]2[c:16]([N+:22](=[O:23])[O-:24])[c:17]([CH3:21])[cH:18][cH:19][c:20]12Participants
5
Sources & evidence
- ORD record
- ord-d08d5d637f8a4ae6badb8640a7b446db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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