HRID160128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID80475

4-Chloro-2-nitrobenzoic acid

C7H4ClNO4

HCID11436764

未命名化合物

PRODUCTS

生成物

结构：CCOC(COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC)OCC

HCID11316580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6105f80ebec4414191a1907395a598e0
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

[CH2:20]([CH3:21])[O:22][CH:23]([CH2:24][O:25][c:26]1[c:27]([O:33][CH3:34])[cH:28][c:29]([NH2:30])[cH:31][cH:32]1)[O:35][CH2:36][CH3:37].[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl-:38].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:39][CH2:40][Cl:41].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]([Cl:13])[cH:12]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:8])[NH:30][c:29]2[cH:28][c:27]([O:33][CH3:34])[c:26]([O:25][CH2:24][CH:23]([O:22][CH2:20][CH3:21])[O:35][CH2:36][CH3:37])[cH:32][cH:31]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1