HRID158035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID83315

2-Chloro-5-nitrotoluene

C7H6ClNO2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID23368063

1-(4,6-Dimethylpyridin-2-yl)piperazine

C11H17N3

PRODUCTS

产物

HCID66851524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1e3ec75434c74916a1dde8ac57499018
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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