phenyl (3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)carbamate → 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(2-chloro-5-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
반응식
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[n:29][n:30](-[c:43]2[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]2)[c:31]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:36])[cH:32]1.[Cl:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([O:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]23)[cH:7][cH:8]1>>[Cl:1][c:2]1[c:3]([NH:4][C:34]([NH:33][c:31]2[n:30](-[c:43]3[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]3)[n:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:32]2)=[O:35])[cH:5][c:6]([O:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]23)[cH:7][cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-270f2466127d4ee1852103ba8249f919
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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