HRID2142316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

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)(CC)CCc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C

HCID57709106

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)OC)cc3)c(C)c2)cc1C

HCID57709110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-050ba76ebc7e417dbb339317a3a97d84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:103]([O-:104])(=[O:105])[CH3:106].[C:86](=[O:87])([OH:88])[O-:89].[C:98]([O-:99])(=[O:100])[CH3:101].[CH2:50]([CH3:51])[C:52]([CH2:53][CH2:54][c:55]1[c:56]([CH3:82])[cH:57][c:58]([C:61]([CH2:62][CH3:63])([c:64]2[cH:65][c:66]([CH3:79])[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)[CH2:80][CH3:81])[cH:59][cH:60]1)([CH2:83][CH3:84])[OH:85].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1)=[O:12].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([O:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[K+:47].[K+:48].[K+:49].[Na+:90].[OH2:107].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:102]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:67]2[c:66]([CH3:79])[cH:65][c:64]([C:61]([c:58]3[cH:57][c:56]([CH3:82])[c:55]([CH2:54][CH2:53][C:52]([CH2:50][CH3:51])([CH2:83][CH3:84])[OH:85])[cH:60][cH:59]3)([CH2:62][CH3:63])[CH2:80][CH3:81])[cH:69][cH:68]2)[cH:9][cH:10]1)=[O:12]