HRID137380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID22319065

5'-Bromo-1'-phenyl[2,3'-bipyridin]-6'(1'H)-one

C16H11BrN2O

PRODUCTS

生成物

结构：O=c1c(C#Cc2ccccc2)cc(-c2ccccn2)cn1-c1ccccc1

HCID22318943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e4d350547784268a8093ab8169edc7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3](=[O:20])[n:4](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cu:41][I:42].[OH2:43].[c:21]1([C:27]#[CH:28])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:2]1([C:28]#[C:27][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:3](=[O:20])[n:4](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1