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

HRID 174507Notes

Reaction equation

HRID 174507 reaction equation
[CH3:38][CH2:39][OH:40].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([CH2:25][c:26]3[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[N:10]([CH2:14][c:15]3[cH:16][cH:17][cH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]34)[C:11](=[O:13])[O:12]2)[cH:6][cH:7]1.[Na+:37].[OH-:36].[OH2:41]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([NH:10][CH2:14][c:15]2[cH:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[OH:12])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 22262093(4RS,5SR)-5-(4-fluorophenyl)-3-(1-naphthalenylmethyl)-4-((4-(trifluoromethyl)phenyl)methyl)-1,3-oxazolidin-2-one

Product 1

HCID 22261590(1RS,2SR)-1-(4-fluorophenyl)-2-((1-naphthalenylmethyl)amino)-3-(4-(trifluoromethyl)phenyl)-1-propanol

Sources & evidence

ORD record
ord-c42cb3c4c2a2432ba8d3c8829ec3bf91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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