HRID169388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID68086

6-Hydroxy-4,7-dimethoxybenzofuran-5-yl methyl ketone

C12H12O5

结构：COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CCl)C2=O

HCID9995173

未命名化合物

HCID67595162

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1c(C(C)=O)c(OC)c3ccoc3c1OC)C2=O

HCID70045865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e732f2c2bdff410e94f9fee442179e8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:20][O:21][c:22]1[c:23]([C:34]([CH3:35])=[O:36])[c:24]([OH:33])[c:25]([O:31][CH3:32])[c:26]2[c:27]1[cH:28][cH:29][o:30]2.[CH3:37][C:38]1=[C:47]([C:48]2=[N:57][NH:56][NH:55][CH2:54][CH2:53][CH2:52][CH2:51][CH2:50][CH2:49]2)[CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39]1.[CH3:59][C:60]#[N:61].[Cl:1][CH2:2][N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[cH:8][c:9]([O:18][CH3:19])[cH:10][c:11]([CH:15]([CH3:16])[CH3:17])[c:12]2[C:13]1=[O:14].[ClH:58]>>[CH2:2]([N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[cH:8][c:9]([O:18][CH3:19])[cH:10][c:11]([CH:15]([CH3:16])[CH3:17])[c:12]2[C:13]1=[O:14])[O:33][c:24]1[c:23]([C:34]([CH3:35])=[O:36])[c:22]([O:21][CH3:20])[c:27]2[c:26]([c:25]1[O:31][CH3:32])[o:30][cH:29][cH:28]2