2-(1-methoxyethyl)-1H-1,3-benzodiazole → 1-[4-[[2-[2-(1-Methoxyethyl)benzimidazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-yl]ethanone
반응식
[CH3:28][O:29][CH:30]([CH3:31])[c:32]1[n:33][c:34]2[c:35]([nH:36]1)[cH:37][cH:38][cH:39][cH:40]2.[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][CH:13]1[CH2:14][CH2:15][N:16]([C:19]([CH3:20])=[O:21])[CH2:17][CH2:18]1)[n:11]2>>[c:2]1(-[n:33]2[c:32]([CH:30]([O:29][CH3:28])[CH3:31])[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][CH:13]1[CH2:14][CH2:15][N:16]([C:19]([CH3:20])=[O:21])[CH2:17][CH2:18]1)[n:11]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-1f937515c63d457e91955e14714cdb49
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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