HRID2311920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID10779302

1-[bis(4-fluorophenyl)methoxy]-2-chloroethane

C15H13ClF2O

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID10069740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6badc3c07a54650b32e4748c2100f97
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

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