HRID1570924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID2774586

5-Fluoro-3-methylbenzo[b]thiophene-2-sulphonyl chloride

C9H6ClFO2S2

HCID12148699

未命名化合物

PRODUCTS

生成物

结构：COc1sc(-c2ccc(NS(=O)(=O)c3sc4ccc(F)cc4c3C)c(S(C)(=O)=O)c2)nc1C

HCID12148700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-997331b5fd8e464d95d03417bb8452e7
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([NH2:7])[cH:8][cH:9][c:10](-[c:12]2[s:13][c:14]([O:18][CH3:19])[c:15]([CH3:17])[n:16]2)[cH:11]1.[CH3:38][C:39]([N:40]([CH3:41])[CH3:42])=[O:43].[Cl:22][S:23](=[O:24])(=[O:25])[c:26]1[c:27]([CH3:36])[c:28]2[c:29]([s:30]1)[cH:31][cH:32][c:33]([F:35])[cH:34]2.[ClH:37].[H-:20].[Na+:21]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([NH:7][S:23](=[O:24])(=[O:25])[c:26]2[c:27]([CH3:36])[c:28]3[c:29]([s:30]2)[cH:31][cH:32][c:33]([F:35])[cH:34]3)[cH:8][cH:9][c:10](-[c:12]2[s:13][c:14]([O:18][CH3:19])[c:15]([CH3:17])[n:16]2)[cH:11]1