HRID682069

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

HCID10615467

未命名化合物

HCID19963264

未命名化合物

PRODUCTS

生成物

结构：CC(C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O

HCID9883481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce91b5abceed45deb10b37e92f4393e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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