HRID1219030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8082

Piperidine

C5H11N

HCID2724942

未命名化合物

HCID21899169

4-(Cyclohexylamino)-3-nitrobenzaldehyde

C13H16N2O3

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(CN2CCCCC2)ccc1NC1CCCCC1

HCID46735183

N-Cyclohexyl-2-nitro-4-[(piperidin-1-yl)methyl]aniline

C18H27N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5edc76e88ae4839b1e047b953002a6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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