3-(6,7-Dimethoxyquinazolin-4-ylthio)aniline → 1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)urea
반응식
[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[n:28][n:29](-[c:42]2[cH:43][c:44]([CH3:48])[cH:45][cH:46][cH:47]2)[c:30]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:31]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][c:18]([NH:19][C:33]([NH:32][c:30]4[n:29](-[c:42]5[cH:43][c:44]([CH3:48])[cH:45][cH:46][cH:47]5)[n:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:31]4)=[O:34])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]참가 물질
3
출처 및 근거
- ORD 기록
- ord-68f26916522840c1adfb5533f4f4d5c0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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