HRID96083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(B(O)O)cc2)cc1C#N

HCID57842684

未命名化合物

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CNC(=O)OC(C)(C)C

HCID57842758

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(B(O)O)cc2)cc1CNC(=O)OC(C)(C)C

HCID57842682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88f9a9c7f88b470ba6f6c014211ec51f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH:62]([OH:63])[OH:64].[Br:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][CH2:35][CH2:36][C:37]([NH:38][c:39]2[cH:40][cH:41][c:42]([S:43]([CH2:44][CH3:45])(=[O:46])=[O:47])[c:48]([CH2:57][NH:58][C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[cH:56]2)=[O:59])[cH:60][cH:61]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:14][C:15]([CH2:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]2)=[O:28])[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]>>[CH2:1]([NH:2][C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[c:3]1[cH:4][c:5]([NH:14][C:15]([CH2:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]2)=[O:28])[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]