Benzene → 4-(3-Hydroxypropyl)benzonitrile
Reaction equation
[BH4-:27].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[Cl:21][C:22]([O:23][CH2:24][CH3:25])=[O:26].[Na+:28].[OH:1][C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1.[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[OH:1][CH2:2][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1Participants
8
Sources & evidence
- ORD record
- ord-7181eed5c70d4aeba2e752c36471d5b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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