HRID2315233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6922

o-(Trifluoromethyl)aniline

C7H6F3N

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1

HCID66591750

tert-Butyl 4-[2-(trifluoromethyl)anilino]piperidine-1-carboxylate

C17H23F3N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5448faadfc26414596b880115df0c093
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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