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1-(piperidin-4-yl)-4-(pyridine-2-yl)-1H-imidazol-2(3H)-one → 4-chloro-9-(2,2-dimethylpropyl)-7-[2-oxo-2-[4-(2-oxo-5-pyridin-2-yl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

HRID 1131776
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HRID 1131776 반응식
[Cl:19][c:20]1[cH:21][c:22]2[c:23]([c:24]3[cH:25][n:26][nH:27][c:28]13)[CH2:29][N:30]([CH2:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:31](=[O:54])[CH:32]([CH2:34][C:35]([N:36]1[CH2:37][CH2:38][CH:39]([N:40]3[CH2:41][c:42]4[c:43]([cH:44][cH:45][cH:46][cH:47]4)[NH:48][C:49]3=[O:50])[CH2:51][CH2:52]1)=[O:53])[CH2:33]2.[NH:1]1[CH2:2][CH2:3][CH:4]([n:7]2[c:8](=[O:18])[nH:9][c:10](-[c:12]3[n:13][cH:14][cH:15][cH:16][cH:17]3)[cH:11]2)[CH2:5][CH2:6]1>>[N:1]1([C:35]([CH2:34][CH:32]2[C:31](=[O:54])[N:30]([CH2:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:29][c:23]3[c:22]([cH:21][c:20]([Cl:19])[c:28]4[c:24]3[cH:25][n:26][nH:27]4)[CH2:33]2)=[O:53])[CH2:2][CH2:3][CH:4]([n:7]2[c:8](=[O:18])[nH:9][c:10](-[c:12]3[n:13][cH:14][cH:15][cH:16][cH:17]3)[cH:11]2)[CH2:5][CH2:6]1
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3

반응물 2

HCID 688252231-(piperidin-4-yl)-4-(pyridine-2-yl)-1H-imidazol-2(3H)-oneHCID 688264784-Chloro-9-(2,2-dimethylpropyl)-7-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

생성물 1

HCID 688261664-chloro-9-(2,2-dimethylpropyl)-7-[2-oxo-2-[4-(2-oxo-5-pyridin-2-yl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

출처 및 근거

ORD 기록
ord-8d5c10d0841b4e6dbfe096337f795dda
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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