HRID2320730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11817047

6-Chloro-1-(4-fluorophenyl)hexan-1-one

C12H14ClFO

HCID16757255

2-methyl-N-[3-(4-piperidyl)phenyl]propanamide

C15H22N2O

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCC(=O)c3ccc(F)cc3)CC2)c1

HCID22048616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-407bacaacdca4aa7867467c7f362d7e0
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

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