2-Chloro-5-(6,7-dimethoxyquinazolin-4-yloxy)aniline → 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-chloro-5-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:8]([NH:10][C:11]([O-:12])=[O:13])[cH:9]1.[Cl:20][c:21]1[c:22]([NH2:23])[cH:24][c:25]([O:28][c:29]2[n:30][cH:31][n:32][c:33]3[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][c:38]23)[cH:26][cH:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:8]([NH:10][C:11](=[O:13])[NH:23][c:22]2[c:21]([Cl:20])[cH:27][cH:26][c:25]([O:28][c:29]3[n:30][cH:31][n:32][c:33]4[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][c:38]34)[cH:24]2)[cH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-0e67af9a477f4e958bb9663254b5778f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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