HRID668275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID19750

4-Chloro-4'-fluorobutyrophenone

C10H10ClFO

HCID30165

Iodide ion

I-

HCID12251273

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(CCCNC1CCC2(CCc3ccccc3C2)CC1)c1ccc(F)cc1

HCID12251275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-874b55966c8a4ce289081fef1004da04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:20](=[O:21])([O-:22])[O-:23].[CH2:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[CH2:9][CH2:10][C:11]12[CH2:12][CH2:13][CH:14]([NH2:17])[CH2:15][CH2:16]2.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1.[ClH:1].[I-:19].[K+:18].[K+:24].[K+:25]>>[CH2:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[CH2:9][CH2:10][C:11]12[CH2:12][CH2:13][CH:14]([NH:17][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1)[CH2:15][CH2:16]2.[ClH:26]