HRID1564854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6422

未命名化合物

HCID88695

5-Iodo-1H-indole-2,3-dione

C8H4INO2

结构：COC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc2)cc1

HCID10299301

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(I)cc43)cc2)cc1

HCID178499990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1979403a5fb34a1da4c1c38546476713
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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