HRID296006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID89648

2-Chloro-3-methyl-5-nitropyridine

C6H5ClN2O2

HCID22625934

tert-Butyl 2,5-dimethylpiperazine-1-carboxylate

C11H22N2O2

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])cnc1N1CC(C)N(C(=O)OC(C)(C)C)CC1C

HCID68541617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99263a665b9e4a1c97f56e2a4f077cd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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