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Bicarbonate Ion → N-((1RS,2SR)-2-(4-fluorophenyl)-1-((3-fluoro-4-(trifluoromethyl)phenyl)methyl)-2-hydroxyethyl)-3-phenylpropanamide

HRID 676373
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HRID 676373 반응식
[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][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([F:23])[c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]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][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([F:23])[c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[C:32]([CH2:31][CH2:30][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:33]
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7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8857Ethyl AcetateHCID 64801Benzenepropanoyl chlorideHCID 22261904(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-1-propanol

생성물 1

HCID 22262151
N-((1RS,2SR)-2-(4-fluorophenyl)-1-((3-fluoro-4-(trifluoromethyl)phenyl)methyl)-2-hydroxyethyl)-3-phenylpropanamide

출처 및 근거

ORD 기록
ord-1248c61079f141e4a143eb2738398037
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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