HRID99848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734350

4-Ethoxycarbonylphenylboronic acid

C9H11BO4

结构：CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1

HCID59822358

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2OC(F)(F)F)cc1

HCID59822382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d37df031df8449db33b9fe625cce4d5
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([Br:19])[c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)=[O:20].[C:35](=[O:36])([O-:37])[O-:38].[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[Cs+:39].[Cs+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10](-[c:29]2[cH:28][cH:27][c:26]([C:24]([O:23][CH2:21][CH3:22])=[O:25])[cH:31][cH:30]2)[c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)=[O:20]