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

HRID 663917Notes

Reaction equation

HRID 663917 reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[ClH:1].[F:24][C:25]([c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[Cl:32])[cH:33][cH:34]1)([F:35])[F:36].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])[OH:23])[cH:7][cH:8]1.[Na+:41].[OH2:48]>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:30]([c:29]2[cH:28][cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:34][cH:33]2)=[O:31])[OH:23])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 676074-(Trifluoromethyl)benzoyl chlorideHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22262142N-((1RS,2RS)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-4-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-a3a47106f1fa40c39d7a5410e93ddcdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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