HRID942183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID70272

4-Chloro-N-methylaniline

C7H8ClN

HCID11312825

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cc2cnc(C#N)nc2n1CC(C)(C)C)c1ccc(Cl)cc1

HCID10177030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b87f88bdf08e43bea1157885fcd40c28
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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