HRID1569185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID817620

5-Bromo-2-nitropyridine

C5H3BrN2O2

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1O

HCID67313470

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc([N+](=O)[O-])nc1

HCID68723584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd3da56932d049229aa44247e4ba30ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:23][c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[n:28][cH:29]1.[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([OH:19])[c:15]([CH3:18])[cH:16][cH:17]2)[cH:20][cH:21][cH:22]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cs+:37].[Cs+:38].[OH2:39]>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([O:19][c:24]3[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[n:28][cH:29]3)[c:15]([CH3:18])[cH:16][cH:17]2)[cH:20][cH:21][cH:22]1