1-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile → 4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-nitro-2H-1,4-benzoxazin-3(4H)-one
반응식
[C:1]([N:5]([C:2](=[O:3])[O-:4])[CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][N:17]2[C:18](=[O:30])[CH2:19][O:20][c:21]3[c:22]2[cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]3)[CH2:13][CH2:14]1)([CH3:6])([CH3:7])[CH3:8].[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>>[NH2:5][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][N:17]2[C:18](=[O:30])[CH2:19][O:20][c:21]3[c:22]2[cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]3)[CH2:13][CH2:14]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e5e94f6f6bc941bfb54a4f4043ffe75e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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