Bicarbonate Ion → N-((1RS,2SR)-2-(3,4-difluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-3-phenylpropanamide

HRID 159464Notes

Reaction equation

HRID 159464 reaction equation
[C:35](=[O:36])([O-:37])[OH:38].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[Na+:39].[OH2:46].[c:24]1([CH2:30][CH2:31][C:32](=[O:33])[Cl:34])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1)[C:32]([CH2:31][CH2:30][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:33]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 64801Benzenepropanoyl chlorideHCID 22261782(1RS,2SR)-2-amino-1-(3,4-difluorophenyl)-3-(4-(trifluoromethyl)phenyl)-1-propanol

Product 1

HCID 22262141N-((1RS,2SR)-2-(3,4-difluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-3-phenylpropanamide

Sources & evidence

ORD record
ord-4717d84e94d44c5aaa3e96287cb5291f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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