HRID2333898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID11776

Triphenylphosphine

C18H15P

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

HCID59484879

[3-(5-Bromopyrimidin-2-yl)phenyl]methanol

C11H9BrN2O

PRODUCTS

生成物

HCID76742604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e556e85b26d4e1a958850a6cd8456f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5](-[c:8]2[cH:9][c:10]([CH2:14][OH:15])[cH:11][cH:12][cH:13]2)[n:6][cH:7]1.[C:16]([CH:17]=[CH2:18])(=[O:19])[O:20][CH3:21].[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[CH3:42][C:43](=[O:44])[O-:45].[Cl-:51].[K+:41].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:78].[Pd+2:69].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[c:2]1([CH:18]=[CH:17][C:16](=[O:19])[O:20][CH3:21])[cH:3][n:4][c:5](-[c:8]2[cH:9][c:10]([CH2:14][OH:15])[cH:11][cH:12][cH:13]2)[n:6][cH:7]1