HRID96996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID1712685

未命名化合物

HCID19261381

Ethyl 4-(4-methylphenyl)piperidine-4-carboxylate

C15H21NO2

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(C)cc2)CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1

HCID53836460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aa142edb3a5466c8b6601f941e3b4f4
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

[Br:19][CH2:20][CH2:21][CH:22]=[C:23]1[c:24]2[c:25]([cH:34][cH:35][cH:36][cH:37]2)[CH2:26][CH2:27][c:28]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2.[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[CH3:46][C:47](=[O:48])[CH2:49][CH3:50].[I-:45].[K+:42].[K+:43].[K+:44].[OH2:51]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH2:9][CH2:10][N:11]([CH2:20][CH2:21][CH:22]=[C:23]3[c:24]4[c:25]([cH:34][cH:35][cH:36][cH:37]4)[CH2:26][CH2:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1