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

[N+:1](=[O: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>>[N+:1](=[O: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]2

참가 물질

반응물 2

HCID 602009201-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile

HCID 86642621tert-Butyl{1-[2-(6-nitro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}carbamate

생성물 1

HCID 667749044-[2-(4-Aminopiperidin-1-yl)ethyl]-6-nitro-2H-1,4-benzoxazin-3(4H)-one

출처 및 근거

ORD 기록: ord-1d686feff24341c880e57cc6532b62a1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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