HRID1559245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11107077

Ethyl 3-[4-(chloromethyl)phenyl]propanoate

C12H15ClO2

HCID54161410

3-(4-Nitrophenyl)pyridin-2(1H)-one

C11H8N2O3

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(Cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1

HCID69300465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bca8e0f1e51649c6b58eb5af2adb25e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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