Isopropanol → N-(3-((5-(isoquinolin-6-yl)oxazol-2-yl)amino)phenyl)-1-phenylmethanesulfonamide

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 16772451N-(3-Aminophenyl)-1-phenylmethanesulfonamide

HCID 710605822-Chloro-5-(isoquinolin-6-yl)oxazole

생성물 1

HCID 71060600N-(3-((5-(isoquinolin-6-yl)oxazol-2-yl)amino)phenyl)-1-phenylmethanesulfonamide

출처 및 근거

ORD 기록: ord-329f68ad07ec4fe1bf95b7ba788aeafb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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