HRID2158338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7258

3,4-Dichlorophenol

C6H4Cl2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID27099

Copper(2+)

Cu+2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID13158583

5-Fluoro-2-iodobenzoic acid

C7H4FIO2

PRODUCTS

生成物

HCID22019277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c03804d4d0ab4b899209ab5b687ef64b
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

[C:1](=[O:2])([O-:3])[O-:4].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[Cl:7][c:8]1[cH:9][c:10]([OH:15])[cH:11][cH:12][c:13]1[Cl:14].[ClH:27].[Cs+:5].[Cs+:6].[Cu+2:50].[F:16][c:17]1[cH:18][cH:19][c:20]([I:26])[c:21]([C:22](=[O:23])[OH:24])[cH:25]1.[F:42][C:43]([F:44])([F:45])[S:46]([O-:47])(=[O:48])=[O:49].[F:51][C:52]([F:53])([F:54])[S:55]([O-:56])(=[O:57])=[O:58].[OH2:35]>>[Cl:7][c:8]1[cH:9][c:10]([O:15][c:20]2[cH:19][cH:18][c:17]([F:16])[cH:25][c:21]2[C:22](=[O:23])[OH:24])[cH:11][cH:12][c:13]1[Cl:14]