HRID86150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID76835

Benzene, 1-isocyanato-3-nitro-

C7H4N2O3

HCID11594543

4-(6,7-DIMETHOXY-QUINOLIN-4-YLOXY)-PHENYLAMINE

C17H16N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)c2cc1OC

HCID11259708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7c8f0defac44c0983087695191c636f
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

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][c:28]([N:32]=[C:33]=[O:34])[cH:29][cH:30][cH:31]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:33]([NH:32][c:28]4[cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:31][cH:30][cH:29]4)=[O:34])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]