HRID141065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6395

Methanesulfonic acid

CH4O3S

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

结构：CS(=O)(=O)OCC1CCC2CN(c3noc4ccccc34)CCN2C1

HCID19699662

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(F)cc1)C1CCN(CC2CCC3CN(c4noc5ccccc45)CCN3C2)CC1

HCID67703731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e833956fc60244639cdcd5f6474b1c86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:24][S:25]([OH:26])(=[O:27])=[O:28].[CH3:54][C:55]([CH2:56][CH:57]([CH3:58])[CH3:59])=[O:60].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:14][cH:15]1.[I-:23].[K+:22].[Na+:16].[Na+:17].[O-:18][C:19](=[O:20])[O-:21].[o:29]1[n:30][c:31]([N:38]2[CH2:39][CH:40]3[N:41]([CH2:42][CH2:43]2)[CH2:44][CH:45]([CH2:48][O:49][S:50]([CH3:51])(=[O:52])=[O:53])[CH2:46][CH2:47]3)[c:32]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:48][CH:45]3[CH2:44][N:41]4[CH:40]([CH2:39][N:38]([c:31]5[n:30][o:29][c:33]6[c:32]5[cH:37][cH:36][cH:35][cH:34]6)[CH2:43][CH2:42]4)[CH2:47][CH2:46]3)[CH2:12][CH2:13]2)[cH:14][cH:15]1