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

HRID 156682Notes

Reaction equation

HRID 156682 reaction equation
[C:36](=[O:37])([O-:38])[OH:39].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)[CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1.[Na+:40].[OH2:47].[c:23]1([C:33](=[O:34])[Cl:35])[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)[CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)[C:33]([c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:34]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 701461-Naphthalenecarbonyl chlorideHCID 22261902(1RS,2SR)-2-amino-3-(4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-1-propanol

Product 1

HCID 22262233N-((1RS,2SR)-1-((4-fluorophenyl)methyl)-2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-naphthalenecarboxamide

Sources & evidence

ORD record
ord-ea8c29e8cf654cc78ca9f8d77c3122d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…