HRID1140214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID3864405

3-(Bromomethyl)biphenyl

C13H11Br

HCID59132632

未命名化合物

PRODUCTS

生成物

结构：CC#CC(c1ccc(NCc2cccc(-c3ccccc3)c2)cc1)C(C(=O)OC)C(=O)OC

HCID59132742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e915f47a4e148a1985e1ba1b4813e69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:21][CH2:22][c:23]1[cH:24][c:25](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:26][cH:27][cH:28]1.[CH3:1][O:2][C:3]([CH:4]([C:5](=[O:6])[O:7][CH3:8])[CH:9]([C:10]#[C:11][CH3:12])[c:13]1[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]1)=[O:20].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH3:1][O:2][C:3]([CH:4]([C:5](=[O:6])[O:7][CH3:8])[CH:9]([C:10]#[C:11][CH3:12])[c:13]1[cH:14][cH:15][c:16]([NH:19][CH2:22][c:23]2[cH:24][c:25](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:26][cH:27][cH:28]2)[cH:17][cH:18]1)=[O:20]