Pyridine → N-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenyl}-methanesulfonamide

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 31297Methanesulfonyl chloride

HCID 866291093-(4-Amino-2-chloro-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

생성물 1

HCID 25254770N-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenyl}-methanesulfonamide

출처 및 근거

ORD 기록: ord-3a21a586f3cc4232a7123dbf6ff02231
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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