HRID1143823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID256687

Methyl 4-(bromomethyl)benzoate

C9H9BrO2

结构：CC(C)(C)OC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1

HCID86620042

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C(=O)OC(C)(C)C)cc1

HCID86620043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3608c975ec04cfe9329dba2bba074b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]1.[C:21](=[O:22])([O-:23])[O-:24].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][nH:11][c:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cs+:25].[Cs+:26]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([CH2:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]3)[c:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:13]2)[cH:5][c:6]([Cl:8])[cH:7]1