4-(tert-Butylaminosulphonyl)benzeneboronic acid → N-tert-Butyl-4-{1-[6-(4-chloro-phenyl)-4-methyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-benzenesulfonamide
반응식
[C:21]([CH3:22])([CH3:23])([CH3:24])[NH:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[n:15]3[cH:16][n:17][c:18]([I:20])[cH:19]3)[n:11][c:12]([CH3:14])[cH:13]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[n:15]3[cH:16][n:17][c:18](-[c:32]4[cH:31][cH:30][c:29]([S:26]([NH:25][C:21]([CH3:22])([CH3:23])[CH3:24])(=[O:27])=[O:28])[cH:34][cH:33]4)[cH:19]3)[n:11][c:12]([CH3:14])[cH:13]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-c1fb8f0294f144408b4f534070f42145
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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