HRID199391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID618709

4-Bromo-4'-pentylbiphenyl

C17H19Br

PRODUCTS

生成物

HCID54407370

Methyl 3-[4-(4-pentylphenyl)phenyl]acrylate

C21H24O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1269a423e5c4413ba1d88a335c0f2c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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