HRID664106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78240

2-Bromo-5-nitropyridine

C5H3BrN2O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID10537281

Methyl 2-[(tert-butoxycarbonyl)amino]pent-4-ynoate

C11H17NO4

PRODUCTS

生成物

结构：COC(=O)C(CC#Cc1ccc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C

HCID90809456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11a544ffae224acdb10643789f89904e
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

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