HRID1572787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CCOC(=O)Cc1cc(OCc2ccccc2)cc(OS(=O)(=O)C(F)(F)F)c1

HCID57755048

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1cc(OCc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1

HCID24771790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a1ec5bd76614d2b81c21c57dc8b080c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[O-:51].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:9][c:10]([O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[cH:11]1)=[O:28].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1)([F:40])[F:41].[Na+:52].[Na+:53]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:9][c:10](-[c:34]2[cH:33][cH:32][c:31]([C:30]([F:29])([F:40])[F:41])[cH:36][cH:35]2)[cH:11]1)=[O:28]