1,4-Dioxane → 11-[3-[4-(2-ethylphenyl)piperazin-1-yl]propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
반응식
[CH3:22][CH2:23][c:24]1[c:25]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:26][cH:27][cH:28][cH:29]1.[Cl:1][CH2:2][CH2:3][C:4](=[O:5])[N:6]1[c:7]2[c:8]([cH:18][cH:19][cH:20][n:21]2)[NH:9][C:10](=[O:17])[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[CH2:2]([CH2:3][C:4](=[O:5])[N:6]1[c:7]2[c:8]([cH:18][cH:19][cH:20][n:21]2)[NH:9][C:10](=[O:17])[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[N:33]1[CH2:32][CH2:31][N:30]([c:25]2[c:24]([CH2:23][CH3:22])[cH:29][cH:28][cH:27][cH:26]2)[CH2:35][CH2:34]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b81e7a323a7a42a69df2ee54151a4d9c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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