Hydrochloric Acid → 4-butyl-N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)benzamide

HRID 693441Notes

Reaction equation

HRID 693441 reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[ClH:20].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([CH:29]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[NH2:41])[OH:42])[cH:26][cH:27]1.[Na+:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:59]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:11])[NH:41][CH:29]([CH:28]([c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]2)[OH:42])[CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[cH:12][cH:13]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 886314-Butylbenzoic acidHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 222617454-butyl-N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)benzamide

Sources & evidence

ORD record
ord-53998b14536247a7b2aedc20f70b1111
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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