1-(1,3-Dioxolan-2-yl)methanamine → N-[4-({2-[(1,3-Dioxolan-2-ylmethyl)amino]pyrimidin-4-yl}oxy)-1-naphthyl]-3-fluoro-5-piperidin-1-ylbenzamide
반응식
[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][c:11]([O:18][c:19]3[n:20][c:21]([S:25]([CH3:26])(=[O:27])=[O:28])[n:22][cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:29][c:30]([N:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:31]1.[O:38]1[CH:39]([CH2:43][NH2:44])[O:40][CH2:41][CH2:42]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][c:11]([O:18][c:19]3[n:20][c:21]([NH:44][CH2:43][CH:39]4[O:38][CH2:42][CH2:41][O:40]4)[n:22][cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:29][c:30]([N:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:31]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-28c663ab32bd47d48676ea61f07a2525
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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