HRID179736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID762654

1-Benzoylpiperazine

C11H14N2O

HCID24902978

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1

HCID2906315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e97a51b8109d4e9c9e8046f89d282b73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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