HRID1236537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID6228

Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID22709072

未命名化合物

PRODUCTS

生成物

HCID54517767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b43e5e34bf6043129309225ddbf48b3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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