HRID118746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc2ncnc(N3CCC(n4c(=O)[nH]c5ccc([N+](=O)[O-])cc5c4=O)CC3)c2cc1OC

HCID22923399

3-[1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitro-2,4(1H,3H)-quinazolinedione

C23H22N6O6

结构：COc1cc2ncnc(N3CCC(n4c(=O)[nH]c5ccc(Cl)cc5c4=O)CC3)c2cc1OC

HCID22923543

6-Chloro-3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-2,4(1H,3H)-quinazolinedione

C23H22ClN5O4

PRODUCTS

生成物

结构：COc1cc2ncnc(N3CCC(n4c(=O)c5cc(Cl)ccc5n(C)c4=O)CC3)c2cc1OC

HCID22923508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc072f0910bf427997aa565892ea0558
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:34][O:35][c:36]1[cH:37][c:38]2[c:39]([cH:40][c:41]1[O:42][CH3:43])[n:44][cH:45][n:46][c:47]2[N:48]1[CH2:49][CH2:50][CH:51]([n:52]2[c:53](=[O:54])[c:55]3[c:56]([cH:57][cH:58][c:59]([N+:60]([O-:61])=[O:62])[cH:63]3)[nH:64][c:65]2=[O:66])[CH2:67][CH2:68]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5](=[O:33])[n:6]([CH:13]3[CH2:14][CH2:15][N:16]([c:19]4[n:20][cH:21][n:22][c:23]5[cH:24][c:25]([O:31][CH3:32])[c:26]([O:29][CH3:30])[cH:27][c:28]45)[CH2:17][CH2:18]3)[c:7](=[O:12])[nH:8][c:9]2[cH:10][cH:11]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5](=[O:33])[n:6]([CH:13]3[CH2:14][CH2:15][N:16]([c:19]4[n:20][cH:21][n:22][c:23]5[cH:24][c:25]([O:31][CH3:32])[c:26]([O:29][CH3:30])[cH:27][c:28]45)[CH2:17][CH2:18]3)[c:7](=[O:12])[n:8]([CH3:34])[c:9]2[cH:10][cH:11]1