HRID812924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID76319

3-Butyn-2-amine, 2-methyl-

C5H9N

HCID81531

Diisopropylethylamine

C8H19N

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(Br)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1

HCID22349575

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C#CC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1

HCID10295633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cfad0a1c97d4a61a805d59f26682bf7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:25][CH3:26])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1.[C:42](=[O:43])([O-:44])[O-:45].[C:57]([O:58][CH3:59])([CH3:60])([CH3:61])[CH3:62].[CH3:27][O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:36][C:37]([C:38]#[CH:39])([CH3:40])[NH2:41].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cs+:46].[Cs+:47].[Cu:63][I:64]>>[c:2]1([C:39]#[C:38][C:37]([CH3:36])([CH3:40])[NH2:41])[cH:3][cH:4][c:5]([O:25][CH3:26])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1