HRID1569032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID2734358

Furan-3-boronic acid

C4H5BO3

结构：CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)cc1F

HCID22316718

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccoc3)cc2)cc1F

HCID22316856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b8458b0087b4ef88bb9d25d5b738d7e
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

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