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

HRID 2145337Notes

Reaction equation

HRID 2145337 reaction equation
[C:38](=[O:39])([O-:40])[OH:41].[CH3:34][C:35]([Cl:36])=[O:37].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[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][CH2:22][c:23]2[cH:24][cH:25][cH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[OH:33])[cH:6][cH:7]1.[Na+:42].[OH2:49]>>[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]([CH2:22][c:23]2[cH:24][cH:25][cH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[C:35]([CH3:34])=[O:37])[OH:33])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6367Acetyl chlorideHCID 8857Ethyl AcetateHCID 22261590(1RS,2SR)-1-(4-fluorophenyl)-2-((1-naphthalenylmethyl)amino)-3-(4-(trifluoromethyl)phenyl)-1-propanol

Product 1

HCID 22261887N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-N-(1-naphthalenylmethyl)acetamide

Sources & evidence

ORD record
ord-eebf08e37374450991300c66b45e0e7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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