HRID1556944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID20335

1,3-Dimethyl-1H-imidazol-3-ium

C5H9N2+

HCID30165

Iodide ion

I-

HCID89908

m-Ethoxybenzaldehyde

C9H10O2

HCID166653

Hydride

H-

HCID22048350

未命名化合物

PRODUCTS

生成物

结构：CCOc1cccc(C(=O)c2ncc(C#N)c3cc(OC)c(OC)cc23)c1

HCID22048431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-582c96ad134046c1aa17dfdf1cd6a220
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:3][c:4]1[n:5][cH:6][c:7]([C:18]#[N:19])[c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]12.[CH2:20]([CH3:21])[O:22][c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29][cH:30]1.[CH2:44]([Cl:45])[Cl:46].[CH3:32][n:33]1[cH:34][n+:35]([CH3:36])[cH:37][cH:38]1.[H-:1].[I-:31].[Na+:2].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:47]>>[c:4]1([C:26]([c:25]2[cH:24][c:23]([O:22][CH2:20][CH3:21])[cH:30][cH:29][cH:28]2)=[O:27])[n:5][cH:6][c:7]([C:18]#[N:19])[c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]12