HRID206601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID8857

Ethyl acetate

C4H8O2

HCID13383

3-Bromothiophene

C4H3BrS

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(Nc2ccc(F)cc2)c1

HCID68959213

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C=Cc2ccsc2)cc1Nc1ccc(F)cc1

HCID68962150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb891e8866434bca8ab672fbf1119576
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][s:4][cH:5][cH:6]1.[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[C:7](=[O:8])([O-:9])[O-:10].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][N:65]([CH3:66])[C:67](=[O:68])[CH3:69].[Cs+:11].[Cs+:12].[F:13][c:14]1[cH:15][cH:16][c:17]([NH:18][c:19]2[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30]([CH:32]=[CH2:33])[cH:31]2)[cH:34][cH:35]1.[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48].[Pd+2:53]>>[c:2]1([CH:33]=[CH:32][c:30]2[cH:29][cH:28][c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[c:19]([NH:18][c:17]3[cH:16][cH:15][c:14]([F:13])[cH:35][cH:34]3)[cH:31]2)[cH:3][s:4][cH:5][cH:6]1