4-(3-Tert-butyl-5-phenoxycarbonylamino-pyrazol-1-yl)benzoic acid methyl ester → 4-(3-Tert-butyl-5-{3-[2-fluoro-4-(2-methyl-pyridin-4-yloxy)-phenyl]-ureido}-pyrazol-1-yl)-benzoic acid methyl ester
반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:13][c:14]2[NH:15][C:16](=[O:17])[O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:8][cH:9]1)=[O:29].[F:30][c:31]1[c:32]([NH2:45])[cH:33][cH:34][c:35]([O:37][c:38]2[cH:39][c:40]([CH3:44])[n:41][cH:42][cH:43]2)[cH:36]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:13][c:14]2[NH:15][C:16](=[O:17])[NH:45][c:32]2[c:31]([F:30])[cH:36][c:35]([O:37][c:38]3[cH:39][c:40]([CH3:44])[n:41][cH:42][cH:43]3)[cH:34][cH:33]2)[cH:8][cH:9]1)=[O:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-09b7ab56be5641149253e0fb3b1fa3b2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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