HRID1135405

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

HCID105144

Palladium(2+)

Pd+2

HCID316783

Methyl 4-Bromophenylacetate

C9H9BrO2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C)CC

HCID67065064

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)OC)cc3)cc2)cc1C)CC

HCID67065062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77af473ea4e1478796d652df1e96322a
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

[C:93]([O-:94])(=[O:95])[CH3:96].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:50]([CH3:51])[C:52]([CH:53]=[CH:54][c:55]1[c:56]([CH3:81])[cH:57][c:58]([C:61]([CH2:62][CH3:63])([c:64]2[cH:65][cH:66][c:67]([B:70]3[O:71][C:72]([CH3:73])([CH3:74])[C:75]([CH3:76])([CH3:77])[O:78]3)[cH:68][cH:69]2)[CH2:79][CH3:80])[cH:59][cH:60]1)([CH2:82][CH3:83])[OH:84].[CH3:38][O:39][C:40]([CH2:41][c:42]1[cH:43][cH:44][c:45]([Br:48])[cH:46][cH:47]1)=[O:49].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21][c:22]2[O:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[K+:35].[K+:36].[K+:37].[OH2:85].[P:30]([O-:31])([O-:32])([O-:33])=[O:34].[Pd+2:97]>>[CH3:38][O:39][C:40]([CH2:41][c:42]1[cH:43][cH:44][c:45](-[c:67]2[cH:66][cH:65][c:64]([C:61]([c:58]3[cH:57][c:56]([CH3:81])[c:55]([CH:54]=[CH:53][C:52]([CH2:50][CH3:51])([CH2:82][CH3:83])[OH:84])[cH:60][cH:59]3)([CH2:62][CH3:63])[CH2:79][CH3:80])[cH:69][cH:68]2)[cH:46][cH:47]1)=[O:49]