Water → 4-[1-(3,4-Dimethoxyphenoxy)-4-hydroxybutyl]benzonitrile
Reaction equation
[BH3:4].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:1][S:2][CH3:3].[CH3:5][O:6][c:7]1[cH:8][c:9]([O:10][CH:11]([CH2:12][CH:13]=[CH2:14])[c:15]2[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]2)[cH:23][cH:24][c:25]1[O:26][CH3:27].[OH2:28]>>[CH3:5][O:6][c:7]1[cH:8][c:9]([O:10][CH:11]([CH2:12][CH2:13][CH2:14][OH:28])[c:15]2[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]2)[cH:23][cH:24][c:25]1[O:26][CH3:27]Participants
6
Sources & evidence
- ORD record
- ord-f3701e4c9ebf4264af4801c04b4fcfd9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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