HRID143159

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

HCID19660

Carbonate

CO3-2

HCID2773496

2-Methoxycarbonylphenylboronic acid

C8H9BO4

结构：CC(C)N(NC(=O)c1ccccc1)C(=O)COc1ccc(F)cc1Br

HCID58689907

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1-c1cc(F)ccc1OCC(=O)N(NC(=O)c1ccccc1)C(C)C

HCID11669874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-774e8e1dd0504168bc0405c530281fba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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