HRID293338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24350

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

CuI

结构：CCC[CH2][Sn]([C]#Cc1ccc(Cl)cc1)([CH2]CCC)[CH2]CCC

HCID58580242

未命名化合物

结构：COc1cc(-n2ccc(Cl)cc2=O)ccc1OCC(C)(C)O

HCID58580294

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ccc(C#Cc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O

HCID46911664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d78ef97facf744b898c50c36c4e552a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:23]([Sn:24]([CH2:25][CH2:26][CH2:27][CH3:37])([C:28]#[C:29][c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1)[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[Cl:1][c:2]1[cH:3][c:4](=[O:22])[n:5](-[c:8]2[cH:9][c:10]([O:20][CH3:21])[c:11]([O:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[cH:12][cH:13]2)[cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[Cu:53][I:54].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[c:2]1([C:28]#[C:29][c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[cH:3][c:4](=[O:22])[n:5](-[c:8]2[cH:9][c:10]([O:20][CH3:21])[c:11]([O:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[cH:12][cH:13]2)[cH:6][cH:7]1