HRID1112843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID73895

Benzene, 1-fluoro-2-nitro-

C6H4FNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID12832103

(8-Benzyl-8-azabicyclo[3.2.1]oct-3-yl)amine

C14H20N2

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccccc1NC1CC2CCC(C1)N2Cc1ccccc1

HCID18507026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-535bc5832dfe4a96b3c3d43580671072
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][CH:11]([NH2:16])[CH2:12][CH:13]1[CH2:14][CH2:15]2.[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[F:26][c:27]1[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][CH:11]([NH:16][c:27]3[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2