HRID2139552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID22628045

未命名化合物

HCID57714135

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)CNc1nc(C#N)ncc1C#CC(=O)c1ccc(-n2ccnn2)cc1

HCID57714131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-532685f4e9914ffea1e3a1214984eecc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH3:21][C:22]([CH2:23][NH:24][c:25]1[n:26][c:27]([C:33]#[N:34])[n:28][cH:29][c:30]1[C:31]#[CH:32])([CH3:35])[CH3:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[Cl:44][CH2:45][Cl:46].[Cu:47][I:48].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([C:10](=[O:12])[C:32]#[C:31][c:30]3[c:25]([NH:24][CH2:23][C:22]([CH3:21])([CH3:35])[CH3:36])[n:26][c:27]([C:33]#[N:34])[n:28][cH:29]3)[cH:13][cH:14]2)[n:2][n:3][cH:4][cH:5]1