Hydrochloric Acid → N-(6-amino-1-hydroxyhexan-2-yl)-4-cyano-N-(2-methylpropyl)benzenesulfonamide

반응식

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][OH:14])[N:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]#[N:30])[cH:27][cH:28]1)([CH3:5])([CH3:6])[CH3:31].[CH3:33][OH:34].[ClH:32]>>[NH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][OH:14])[N:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]#[N:30])[cH:27][cH:28]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 68913977tert-butyl N-[5-[(4-cyanophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]carbamate

생성물 1

HCID 18009004N-(6-amino-1-hydroxyhexan-2-yl)-4-cyano-N-(2-methylpropyl)benzenesulfonamide

출처 및 근거

ORD 기록: ord-289ca8fdb24f42f8a6534aebaf0eb3d9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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