Isopropanol → N-[1-(4-chlorophenyl)ethyl]-6-methyl-5-nitroisoquinolin-1-amine
Reaction equation
[CH:33]([OH:34])([CH3:35])[CH3:36].[CH:37]([Cl:38])([Cl:39])[Cl:40].[Cl:16][c:17]1[cH:18][cH:19][c:20]([CH:23]([CH3:24])[NH2:25])[cH:21][cH:22]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]([N+:13](=[O:14])[O-:15])[c:8]([CH3:12])[cH:9][cH:10][c:11]12.[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32]>>[c:2]1([NH:25][CH:23]([c:20]2[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]2)[CH3:24])[n:3][cH:4][cH:5][c:6]2[c:7]([N+:13](=[O:14])[O-:15])[c:8]([CH3:12])[cH:9][cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-9bed5e8befb24427a1b847e6c6bb37e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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