HRID314351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID6422

未命名化合物

结构：CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(OC(=O)Nc3ccc(F)cc3)cc2)cc1)C(=O)OC(C)(C)C

HCID67109947

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(OC(=O)Nc3ccc(F)cc3)cc2)cc1)C(=O)O

HCID67110815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f983941ca184af4b195ade43f373684
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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