HRID173689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

HCID2758350

3,3-difluoropiperidine

C5H9F2N

HCID25918857

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

C12H14N2O4

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCCC(F)(F)C3)CC2)ccc1[N+](=O)[O-]

HCID59441864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afe3f451521e477ab1f7f8c04e371a0f
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:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[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].[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:53][CH2:54][CH2:55][Cl:56].[ClH:19].[F:20][C:21]1([F:27])[CH2:22][NH:23][CH2:24][CH2:25][CH2:26]1.[Na+:52]>>[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][C:21]([F:20])([F:27])[CH2:26][CH2:25][CH2:24]3)[CH2:16][CH2:17]2)[cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11]