HRID669855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

结构：CC1(C)OB(c2ccc(NS(C)(=O)=O)cc2)OC1(C)C

HCID16217653

N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

C13H20BNO4S

HCID59244708

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cc1

HCID59244358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b66c8e9e4af24a9e96cbc4619cdbdb60
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:43]([OH:44])[OH:45].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]([NH:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:35][cH:36]2)[O:42]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][O:11][CH2:12][CH2:13]3)[n:7]1)[N:14]([c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1)[CH2:15][CH2:16]2>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]([NH:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:35][cH:36]2)[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][O:11][CH2:12][CH2:13]3)[n:7]1)[N:14]([c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1)[CH2:15][CH2:16]2