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

HRID 205392
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HRID 205392 반응식
[C:32](=[O:33])([O-:34])[OH:35].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH:23]1([C:29](=[O:30])[Cl:31])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[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+:36].[OH2:43]>>[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:29]([CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:30]
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8857Ethyl AcetateHCID 75938Cyclohexanecarbonyl chlorideHCID 22261902(1RS,2SR)-2-amino-3-(4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-1-propanol

생성물 1

HCID 22262165
N-((1RS,2SR)-1-((4-fluorophenyl)methyl)-2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)cyclohexanecarboxamide

출처 및 근거

ORD 기록
ord-61c2a9c717c24698b40b5c48ae06f465
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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