HRID176151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6569

Methyl ethyl ketone

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID19750

4-Chloro-4'-fluorobutyrophenone

C10H10ClFO

HCID30165

Iodide ion

I-

HCID21978394

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(CCCN1CC(CS(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1

HCID11463514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8abde09efe2c4ad98ba281ac56db9c0d
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

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