HRID135102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

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

PRODUCTS

生成物

结构：COc1ccc(Cn2c(=O)n(C3CCN(c4ncnc5cc(OC)c(OC)cc45)CC3)c(=O)c3cc([N+](=O)[O-])ccc32)cc1

HCID22923534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8a52321559341b6a6b9d5f16cd12752
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([N:15]3[CH2:16][CH2:17][CH:18]([n:21]4[c:22](=[O:35])[nH:23][c:24]5[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[cH:28][c:29]5[c:30]4=[O:31])[CH2:19][CH2:20]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:36][O:37][c:38]1[cH:39][cH:40][c:41]([CH2:42][Cl:43])[cH:44][cH:45]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([N:15]3[CH2:16][CH2:17][CH:18]([n:21]4[c:22](=[O:35])[n:23]([CH2:42][c:41]5[cH:40][cH:39][c:38]([O:37][CH3:36])[cH:45][cH:44]5)[c:24]5[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[cH:28][c:29]5[c:30]4=[O:31])[CH2:19][CH2:20]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]