HRID1569641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID139852

5-Hexynenitrile

C6H7N

结构：N#Cc1c(O)c2c(-c3ccc(I)cc3)csc2[nH]c1=O

HCID54689945

未命名化合物

PRODUCTS

生成物

结构：N#CCCCC#Cc1ccc(-c2csc3[nH]c(=O)c(C#N)c(O)c23)cc1

HCID54689935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3f1ca8923914e8a82bd93c1e87522ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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