HRID1565256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID144749

Ethyl 5-bromo-2-chlorobenzoate

C9H8BrClO2

PRODUCTS

生成物

结构：CCOC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl

HCID53649170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d54aa15110384a7ca7dbbe7ed0dcef31
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[C:27](=[O:28])([O-:29])[O-:30].[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[CH2:14]([CH3:15])[O:16][C:17]([c:18]1[cH:19][c:20]([Br:25])[cH:21][cH:22][c:23]1[Cl:24])=[O:26].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cs+:31].[Cs+:32].[Pd+2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:20]2[cH:19][c:18]([C:17]([O:16][CH2:14][CH3:15])=[O:26])[c:23]([Cl:24])[cH:22][cH:21]2)[CH2:12][CH2:13]1