HRID296136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID53418386

1-Ethenyl-4-propylcyclohexane

C11H20

HCID58453203

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCC(C=Cc2ccc(C3CCC(C(=O)OC)CC3)cc2)CC1

HCID58453224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9ab72ba9a424fa9bd5d7c31f9db9456
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:32]([CH2:33][CH3:34])[CH:35]1[CH2:36][CH2:37][CH:38]([CH:41]=[CH2:42])[CH2:39][CH2:40]1.[CH3:15][O:16][C:17](=[O:18])[CH:19]1[CH2:20][CH2:21][CH:22]([c:25]2[cH:26][cH:27][c:28]([Br:31])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[K+:12].[K+:13].[K+:14].[OH2:52].[P:7]([O-:8])([O-:9])([O-:10])=[O:11].[Pd+2:47]>>[CH3:15][O:16][C:17](=[O:18])[CH:19]1[CH2:20][CH2:21][CH:22]([c:25]2[cH:26][cH:27][c:28]([CH:42]=[CH:41][CH:38]3[CH2:37][CH2:36][CH:35]([CH2:32][CH2:33][CH3:34])[CH2:40][CH2:39]3)[cH:29][cH:30]2)[CH2:23][CH2:24]1