HRID2329277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

结构：COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(NC(=O)c2cccc(C(C)(C)C#N)c2)c1

HCID66810330

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(N)ccc1Oc1cccc(NC(=O)c2cccc(C(C)(C)C#N)c2)c1

HCID66810422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d7a77fe6f574c70b6c470392da968b6
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

[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:12](=[O:13])[NH:14][c:15]2[cH:16][c:17]([O:18][c:19]3[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][c:26]([N+:29]([O-:30])=[O:31])[cH:27][cH:28]3)[cH:32][cH:33][cH:34]2)[cH:9][cH:10][cH:11]1.[C:42].[CH3:35][N:36]1[C:37](=[O:38])[CH2:39][CH2:40][CH2:41]1.[Pd:43]>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:12](=[O:13])[NH:14][c:15]2[cH:16][c:17]([O:18][c:19]3[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][c:26]([NH2:29])[cH:27][cH:28]3)[cH:32][cH:33][cH:34]2)[cH:9][cH:10][cH:11]1