HRID2144948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID22571763

未命名化合物

HCID22571993

[4-(1,3-Dioxolan-2-yl)-2,6-dimethoxyphenyl]boronic acid

C11H15BO6

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(OC)cc(C3OCCO3)cc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e495a428c3d4212baa4599bcce8671c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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