4-Hydroxybenzyl Alcohol → 2-tert-Butyl-4-({3-[4-(hydroxymethyl)phenoxy]propyl}amino)-5-phenylisothiazol-3(2H)-one 1,1-dioxide

반응식

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

참가 물질

반응물 2

HCID 1254-Hydroxybenzyl Alcohol

HCID 866258673-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonate

생성물 1

HCID 115903782-tert-Butyl-4-({3-[4-(hydroxymethyl)phenoxy]propyl}amino)-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록: ord-4e872327c5284bda92d313441835dd41
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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