3-(6,7-Dimethoxyquinazolin-4-ylthio)aniline → 1-(3-cyclobutyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)urea

반응식

[CH3:26][O:27][c:28]1[cH:29][c:30]2[c:31]([S:40][c:41]3[cH:42][c:43]([NH2:44])[cH:45][cH:46][cH:47]3)[n:32][cH:33][n:34][c:35]2[cH:36][c:37]1[O:38][CH3:39].[CH:1]1([c:5]2[n:6][n:7](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:8]([NH:10][C:11]([O:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)=[O:19])[cH:9]2)[CH2:2][CH2:3][CH2:4]1>>[CH:1]1([c:5]2[n:6][n:7](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:8]([NH:10][C:11](=[O:19])[NH:44][c:43]3[cH:42][c:41]([S:40][c:31]4[c:30]5[cH:29][c:28]([O:27][CH3:26])[c:37]([O:38][CH3:39])[cH:36][c:35]5[n:34][cH:33][n:32]4)[cH:47][cH:46][cH:45]3)[cH:9]2)[CH2:2][CH2:3][CH2:4]1

참가 물질

반응물 2

HCID 569536273-(6,7-Dimethoxyquinazolin-4-ylthio)aniline

HCID 66876742phenyl 3-cyclobutyl-1-phenyl-1H-pyrazol-5-ylcarbamate

생성물 1

HCID 442430841-(3-cyclobutyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)urea

출처 및 근거

ORD 기록: ord-55a172b1179d4022b97879012b3f9fab
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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