HRID291926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)c1nc(N(Cc2ccccc2)Cc2ccccc2)ccc1Br

HCID59145917

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1C(=O)OC

HCID68699373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc97999c2b79469f86df7dc92f572c1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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