HRID2143458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID568962

1,3-Cyclohexanedione, 5-phenyl-

C12H12O2

HCID2778386

2-Bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-one

C9H6BrF3O

PRODUCTS

生成物

结构：O=C1CC(c2ccccc2)CC(O)=C1CC(=O)c1cccc(C(F)(F)F)c1

HCID23086720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23cece7bbc904d0d82e7d880213506d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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