Ethanol → (1RS,2SR)-2-amino-1-(3-chlorophenyl)-3-[4-(1,1-difluoro-2,2-dimethylpropyl)phenyl]-1-propanol
Reaction equation
[CH3:30][CH2:31][OH:32].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([CH2:14][c:15]3[cH:16][cH:17][c:18]([C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])([F:26])[F:27])[cH:19][cH:20]3)[NH:10][C:11](=[O:13])[O:12]2)[cH:5][cH:6][cH:7]1.[Na+:29].[OH-:28]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH:9]([NH2:10])[CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])([F:26])[F:27])[cH:19][cH:20]2)[OH:12])[cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-fd6076bb601e45d3a8a534a79809a8de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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