HRID303991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID74814

2-Chloro-4-fluorophenol

C6H4ClFO

HCID104815

Cuprous ion

Cu+

HCID104967

Cesium(1+)

Cs+

2 次

HCID236352

2-Bromo-4-tert-butylbenzoic acid

C11H13BrO2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)O)c(Oc2ccc(F)cc2Cl)c1

HCID57687708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-380103cff5d340f7bd464fceffacb1da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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