proline dl-form → 3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)aniline
반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([I:26])[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:27][cH:28]1.[CH3:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:52][S:53]([CH3:54])=[O:55].[Cu:50][I:51].[K+:44].[K+:45].[NH:36]1[CH2:37][CH2:38][CH2:39][CH:40]1[C:41]([OH:42])=[O:43].[O-:46][C:47]([O-:48])=[O:49]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:33]3[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:27][cH:28]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-21c3ac70661e42c6aa3d051879b498a6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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