HRID1212062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID81364

1-Bromo-4-chlorobutane

C4H8BrCl

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2O)Cc2ccc(C(=O)OC)cc2)cc1

HCID68481330

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCCCCCl)Cc2ccc(C(=O)OC)cc2)cc1

HCID68480294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a52245dfade6411ab91edceb4145665d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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