Ethanol → (1RS,2SR)-2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)-1-propanol

HRID 206303Notes

Reaction equation

HRID 206303 reaction equation
[CH3:27][CH2:28][OH:29].[F:1][C:2]([CH3:3])([F:4])[c:5]1[cH:6][c:7]([CH2:8][CH:9]2[NH:10][C:11](=[O:21])[O:12][CH:13]2[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:22][cH:23][cH:24]1.[Na+:26].[OH-:25].[OH2:30]>>[F:1][C:2]([CH3:3])([F:4])[c:5]1[cH:6][c:7]([CH2:8][CH:9]([NH2:10])[CH:13]([OH:12])[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:22][cH:23][cH:24]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 22261676(4RS,5SR)-4-[3-(1,1-difluoroethyl)benzyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

Product 1

HCID 22261599(1RS,2SR)-2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)-1-propanol

Sources & evidence

ORD record
ord-200d1e88240d4b50b70f5d30f7636c67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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