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

HRID 169254Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 22261917(4RS,5SR)-5-(2,4-difluorophenyl)-4-((4-(trifluoromethyl)phenyl)methyl)-1,3-oxazolidin-2-one

Product 1

HCID 22262035(1RS,2SR)-2-amino-1-(2,4-difluorophenyl)-3-(4-(trifluoromethyl)phenyl)-1-propanol

Sources & evidence

ORD record: ord-7b55ca0064d1485a8b38280bd0110ed7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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