Chloroform → (1RS,2SR)-2-amino-1-(3-chlorophenyl)-3-[4-(2,2,3,3,3-pentafluoropropyl)phenyl]-1-propanol

반응식

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

참가 물질

반응물 3

HCID 6212Chloroform

HCID 6422Trifluoroacetic acid

HCID 86593313HCID 86593313, 화합물

생성물 1

HCID 22261679(1RS,2SR)-2-amino-1-(3-chlorophenyl)-3-[4-(2,2,3,3,3-pentafluoropropyl)phenyl]-1-propanol

출처 및 근거

ORD 기록: ord-e16c0d50661d48c0ae39307f1d2cb85b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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