2-Fluorophenol → 2-tert-Butyl-4-{[3-(2-fluorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

반응식

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

참가 물질

반응물 2

HCID 97072-Fluorophenol

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

생성물 1

HCID 114957362-tert-Butyl-4-{[3-(2-fluorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록: ord-c303caccec84435693c67845c5a1d7e1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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