HRID1129125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID68503

4-Bromo-m-xylene

C8H9Br

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

HCID59259723

1-[(2-Methoxyethoxy)methyl]-2,4-dimethylbenzene

C12H18O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-125ec3f7448346c2821c7c0fd273b285
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[C:16](=[O:17])([O-:18])[O-:19].[CH2:10]1[CH2:11][O:12][CH2:13][CH2:14][O:15]1.[CH3:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65].[CH:22]1([P:23]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2-[c:36]2[c:37]([O:38][CH3:39])[cH:40][cH:41][cH:42][c:43]2[O:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cs+:20].[Cs+:21].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[OH2:66].[Pd+2:51]>>[c:2]1([CH2:14][O:15][CH2:10][CH2:11][O:12][CH3:13])[c:3]([CH3:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1