HRID2138753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8821

Ethyl acrylate

C5H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID67274244

Benzyl (4-bromo-3-fluorophenyl)carbamate

C14H11BrFNO2

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(NC(=O)OCc2ccccc2)cc1F

HCID67274036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-998436c8a9704e148b1788eee593eec4
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:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][CH3:26].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][c:13]([F:18])[c:14]([Br:17])[cH:15][cH:16]1)=[O:19].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[Pd+2:64].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][c:13]([F:18])[c:14]([CH:22]=[CH:21][C:20](=[O:23])[O:24][CH2:25][CH3:26])[cH:15][cH:16]1)=[O:19]