HRID123725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7761

Diethyl propanedioate

C7H12O4

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID59627679

未命名化合物

HCID178476743

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)c1cc(Cl)c(OC)cc1Cl

HCID59627728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caee8f4999bc448b95668e536aed8023
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[c:3]([Cl:11])[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1.[C:12](=[O:13])([O-:14])[O-:15].[C:52]([CH2:53][C:54](=[O:55])[O:56][CH2:57][CH3:58])(=[O:59])[O:60][CH2:61][CH3:62].[C:70]([O:71][Pd:72][O:73][C:74](=[O:75])[CH3:76])(=[O:77])[CH3:78].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:18]1([P:19]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[c:33]([CH:34]([CH3:35])[CH3:36])[cH:37][c:38]([CH:39]([CH3:40])[CH3:41])[cH:42][c:43]2[CH:44]([CH3:45])[CH3:46])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cs+:16].[Cs+:17]>>[c:2]1([CH:53]([C:52](=[O:59])[O:60][CH2:61][CH3:62])[C:54](=[O:55])[O:56][CH2:57][CH3:58])[c:3]([Cl:11])[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1