HRID94417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID68680636

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)n1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

HCID68680769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b35284f9e124e1ab22555d8e9aaa182
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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