N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide → N-(4-{1-[4-(2-Hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl}phenyl)methanesulfonamide
반응식
[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][cH:28][c:29]([NH:32][S:33](=[O:34])(=[O:35])[CH3:36])[cH:30][cH:31]2)[O:37]1.[I:1][c:2]1[c:3]([CH3:17])[n:4][n:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:15][OH:16])[cH:12][cH:13]2)[c:6]1[CH3:7]>>[c:2]1(-[c:26]2[cH:27][cH:28][c:29]([NH:32][S:33](=[O:34])(=[O:35])[CH3:36])[cH:30][cH:31]2)[c:3]([CH3:17])[n:4][n:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:15][OH:16])[cH:12][cH:13]2)[c:6]1[CH3:7]참가 물질
3
출처 및 근거
- ORD 기록
- ord-8372fd944bf246979041a45826f5077e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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