1-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile → 6-Acetyl-4-[2-(4-aminopiperidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:30]1)[N:9]([CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21]1)[C:10](=[O:13])[CH2:11][O:12]2.[NH2:31][CH:32]1[CH2:33][CH2:34][N:35]([CH2:36][CH2:37][n:38]2[c:39]3[c:40]([cH:41][cH:42][c:43]([C:44]#[N:45])[cH:46]3)[cH:47][cH:48][c:49]2=[O:50])[CH2:51][CH2:52]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:30]1)[N:9]([CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([NH2:22])[CH2:20][CH2:21]1)[C:10](=[O:13])[CH2:11][O:12]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-3c14ac60f3d04cea850c8f062ed63f29
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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