HRID141544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID85239

2,6-Dichloro-3-nitropyridine

C5H2Cl2N2O2

HCID4136128

1-Benzyl-N-methylpiperidin-4-amine

C13H20N2

PRODUCTS

生成物

结构：CN(c1nc(Cl)ccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1

HCID10784786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e16d2702b7f24fafa23003154424c755
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][CH3:15])[CH2:12][CH2:13]1.[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][C:40]#[N:41].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Cl:16][c:17]1[n:18][c:19]([Cl:26])[cH:20][cH:21][c:22]1[N+:23](=[O:24])[O-:25].[K+:31].[K+:32].[OH2:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH3:15])[c:17]2[n:18][c:19]([Cl:26])[cH:20][cH:21][c:22]2[N+:23](=[O:24])[O-:25])[CH2:12][CH2:13]1