HRID700581

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

HCID1140

Toluene

C7H8

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

HCID105144

Palladium(2+)

Pd+2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID44557937

[3-Chloro-4-(trifluoromethyl)phenyl]methanol

C8H6ClF3O

PRODUCTS

生成物

HCID46315130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11ccaf54c3d34fbf86e65661d9b40efe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2-[c:46]2[c:47]([O:48][CH3:49])[cH:50][cH:51][cH:52][c:53]2[O:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:12][OH:13])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[K+:29].[K+:30].[K+:31].[OH2:77].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[Pd+2:72].[c:14]1([O:20][B:21]([OH:22])[OH:23])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:2]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:3][c:4]([CH2:12][OH:13])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]