HRID200905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

HCID20385587

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]c3ccc(Cl)cc32)CC1

HCID21424823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa8f301b69ab43d89ff17c9d3f4a7548
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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