HRID682206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID61668

Boronic acid

H3BO2

结构：COC(=O)c1cc(Br)cc(C)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1

HCID70053864

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(C=O)cc2)cc(C)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1

HCID86754310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fc5b4968bb3400d84eb431cfaeb0c16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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