HRID112729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID117544

Ethyl 6-bromohexanoate

C8H15BrO2

HCID432655

1-(4-fluorophenyl)butane-1,3-dione

C10H9FO2

PRODUCTS

生成物

结构：CCOC(=O)CCCCCC(C(C)=O)C(=O)c1ccc(F)cc1

HCID57444527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0563a475508b4d27bad1605f95e11040
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:32].[Br:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30].[C:14](=[O:15])([O-:16])[O-:17].[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:31].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][C:10]([CH3:11])=[O:12])=[O:13])[cH:6][cH:7]1.[K+:18].[K+:19]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]([C:10]([CH3:11])=[O:12])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])=[O:13])[cH:6][cH:7]1