HRID109580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID53167

1-Methylpiperazine

C5H12N2

HCID2724942

未命名化合物

HCID25918857

1-(3-Methoxy-4-nitrophenyl)piperidin-4-one

C12H14N2O4

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]

HCID56777249

1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine

C17H26N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46c464a1b086405cb63030e050b7aeea
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:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([N:12]2[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]2)[cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11].[Cl:42][CH:43]([Cl:44])[CH3:45].[Na+:39].[Na+:41].[OH-:40].[OH2:46]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N:12]2[CH2:13][CH2:14][CH:15]([N:23]3[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]3)[CH2:16][CH2:17]2)[cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11]