Ethanol → (1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-1-propanol

HRID 188117Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 22261622(4RS,5SR)-5-(4-fluorophenyl)-4-((3-fluoro-4-(trifluoromethyl)phenyl)methyl)-1,3-oxazolidin-2-one

Product 1

HCID 22261904(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-1-propanol

Sources & evidence

ORD record: ord-e6b264a36965451e9b3efa4d498f819d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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