HRID2317446

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

HCID2777204

2-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：CC(C)N(NC(=O)c1cccs1)C(=O)COc1ccc(F)cc1Br

HCID58689899

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(NC(=O)c1cccs1)C(=O)COc1ccc(F)cc1-c1ccccc1OC(F)(F)F

HCID11504202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fb0fa4a8e1c458ebbbd014a9819610d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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