Isopropanol → 3-Nitro-4-(propylamino)benzonitrile
Reaction equation
[CH2:13]([CH2:14][CH3:15])[NH2:16].[CH:17]([OH:18])([CH3:19])[CH3:20].[Cl:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[c:2]1([NH:16][CH2:13][CH2:14][CH3:15])[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-5e79697c5d91484eaf8309147222389f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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