HRID303846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108794

2-Iodoxybenzoic acid

C7H5IO4

反应SMILES：COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2CO)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C

HCID67066592

未命名化合物

PRODUCTS

产物

HCID91484309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1ac2dab5e9434d9fa91e9e9f6fc67c4f
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])[c:5]1[c:6]([O:34][CH3:35])[c:7]([CH:8]=[CH:9][c:10]2[c:11]([CH2:21][OH:22])[cH:12][c:13]([NH:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:14][cH:15]2)[cH:23][c:24](-[n:26]2[c:27](=[O:33])[nH:28][c:29](=[O:32])[cH:30][cH:31]2)[cH:25]1.[I:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[C:43]([OH:44])=[O:45])(=[O:46])=[O:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:34][CH3:35])[c:7]([CH:8]=[CH:9][c:10]2[c:11]([CH:21]=[O:22])[cH:12][c:13]([NH:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:14][cH:15]2)[cH:23][c:24](-[n:26]2[c:27](=[O:33])[nH:28][c:29](=[O:32])[cH:30][cH:31]2)[cH:25]1