HRID2128142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID4614221

2-Chloro-4-nitrophenyl isocyanate

C7H3ClN2O3

HCID11594543

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

C17H16N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4Cl)cc3)c2cc1OC

HCID22132755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5228821e27494959861e14611290fcb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:23][c:24]1[c:25]([N:33]=[C:34]=[O:35])[cH:26][cH:27][c:28]([N+:30](=[O:31])[O-:32])[cH:29]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:34]([NH:33][c:25]4[c:24]([Cl:23])[cH:29][c:28]([N+:30](=[O:31])[O-:32])[cH:27][cH:26]4)=[O:35])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]