HRID1203628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID24350

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

CuI

结构：CCOP(=O)(CSc1nc2cc(I)c(Cl)cc2[nH]1)OCC

HCID58422987

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CSc1nc2cc(Cl)c(C#Cc3ccccc3)cc2[nH]1)OCC

HCID58422995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-841aeff0e2624d4eaa30639c208452ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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