Bicarbonate Ion → N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-N-methyl-1-naphthalenecarboxamide

HRID 169596Notes

Reaction equation

HRID 169596 reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH:21][CH3:22])[OH:23])[cH:6][cH:7]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:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[N:21]([CH3:22])[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:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 701461-Naphthalenecarbonyl chlorideHCID 22261511(1RS,2SR)-1-(4-fluorophenyl)-2-(methylamino)-3-(4-(trifluoromethyl)phenyl)-1-propanol

Product 1

HCID 22262175N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-N-methyl-1-naphthalenecarboxamide

Sources & evidence

ORD record
ord-2126671d70f843d1b8ce390f5c1ef94a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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