HRID211994

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

HCID68303

Ethanone, 2-bromo-1-(4-chlorophenyl)-

C8H6BrClO

HCID136389313

3-[[4-(1H-Benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]amino]propanenitrile

C12H10N6O

PRODUCTS

生成物

结构：N#CCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1

HCID11165682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc4ba6d1becb42f5819f7714ba745441
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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