Acetate → N'-(5-chloro-1,3-benzodioxol-4-yl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2,4-diamine
반응식
[C:16](=[O:17])([O-:18])[O-:19].[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:1][c:2]1[n:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]2)[cH:5][c:6]([NH2:8])[n:7]1.[Cl:22][c:23]1[n:24][cH:25][cH:26][c:27]([NH:29][c:30]2[c:31]([Cl:39])[cH:32][cH:33][c:34]3[c:38]2[O:37][CH2:36][O:35]3)[n:28]1.[Cs+:20].[Cs+:21].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[Pd+2:50]>>[CH3:1][c:2]1[n:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]2)[cH:5][c:6]([NH:8][c:23]2[n:24][cH:25][cH:26][c:27]([NH:29][c:30]3[c:31]([Cl:39])[cH:32][cH:33][c:34]4[c:38]3[O:37][CH2:36][O:35]4)[n:28]2)[n:7]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-fdd6084038d3490ea7b775a7751e371f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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