1-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile → 1-[2-(4-Aminopiperidin-1-yl)ethyl]-7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-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]3[c:19]([n:24][cH:25][c:26]([Br:28])[cH:27]3)[O:20][CH2:21][C:22]2=[O:23])[CH2:13][CH2:14]1)([CH3:6])([CH3:7])[CH3:8].[NH2:29][CH:30]1[CH2:31][CH2:32][N:33]([CH2:34][CH2:35][n:36]2[c:37]3[c:38]([cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44]3)[cH:45][cH:46][c:47]2=[O:48])[CH2:49][CH2:50]1>>[NH2:5][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][N:17]2[c:18]3[c:19]([n:24][cH:25][c:26]([Br:28])[cH:27]3)[O:20][CH2:21][C:22]2=[O:23])[CH2:13][CH2:14]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-3fd332f2da5f4064b23dee5f9b88da3a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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