Methanol → 2,4-Difluoro-N-[5-[4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]benzenesulfonamide
반응식
[CH3:60][OH:61].[CH:56]([OH:57])([CH3:58])[CH3:59].[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[c:14]([O:52][CH3:53])[n:15][cH:16][c:17](-[c:19]3[cH:20][c:21](-[c:37]4[o:38][c:39]([CH2:42][N:43]5[CH2:44][CH2:45][N:46]([CH:49]([CH3:50])[CH3:51])[CH2:47][CH2:48]5)[cH:40][n:41]4)[c:22]4[cH:23][n:24][n:25]([S:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)(=[O:35])=[O:36])[c:26]4[cH:27]3)[cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:55].[OH-:54]>>[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[c:14]([O:52][CH3:53])[n:15][cH:16][c:17](-[c:19]3[cH:20][c:21](-[c:37]4[o:38][c:39]([CH2:42][N:43]5[CH2:44][CH2:45][N:46]([CH:49]([CH3:50])[CH3:51])[CH2:47][CH2:48]5)[cH:40][n:41]4)[c:22]4[cH:23][n:24][nH:25][c:26]4[cH:27]3)[cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-9827f70927554cf38743e4db2945e9ef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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