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

HRID 666771Notes

Reaction equation

HRID 666771 reaction equation
[C:42](=[O:43])([O-:44])[OH:45].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:13][C:14]([C:15]([Cl:16])=[O:17])=[O:18].[ClH:19].[F:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([CH:28]([CH2:29][c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[NH2:40])[OH:41])[cH:25][cH:26]1.[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:58].[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:12])[NH:40][CH:28]([CH:27]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)[OH:41])[CH2:29][c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 47754-Phenylbutyric AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261433N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-4-phenylbutyramide

Sources & evidence

ORD record
ord-88d7896de06b4bd4a051ac1e6fb2bc9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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