HRID2133388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

结构：Cc1nc2c(cc1Br)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

HCID21948208

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C

HCID69593687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2417cd5be13d460d86063d5c6814e61a
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:46]([CH:47]=[CH2:48])(=[O:49])[O:50][CH3:51].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:10]2[n:11][c:12]([CH3:20])[c:13]([Br:19])[cH:14][c:15]2[c:16](=[O:18])[cH:17]1.[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[Pd+2:57].[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>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:10]2[n:11][c:12]([CH3:20])[c:13]([CH:48]=[CH:47][C:46](=[O:49])[O:50][CH3:51])[cH:14][c:15]2[c:16](=[O:18])[cH:17]1