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

HRID 124621Notes

Reaction equation

HRID 124621 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: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].[c:24]1([C:34](=[O:35])[Cl:36])[cH:25][cH:26][cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[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:34]([c:24]2[cH:25][cH:26][cH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)=[O:35])[OH:23])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 701461-Naphthalenecarbonyl chlorideHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 10276741N-((1RS,2RS)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-naphthalenecarboxamide

Sources & evidence

ORD record
ord-bb9b5c51c4ba47f4b2b9724cd2a8f5eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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