HRID2347518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID66855590

未命名化合物

结构：O=C(O)C=Cc1ccc(C(F)(F)F)nc1-c1cccc(F)c1

HCID68782109

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1c(F)cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2-c2cccc(F)c2)cc1C#N

HCID68780345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-921970831ca3426d8a97aa0d41d5445e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[ClH:17].[F:18][c:19]1[cH:20][c:21](-[c:25]2[n:26][c:27]([C:36]([F:37])([F:38])[F:39])[cH:28][cH:29][c:30]2[CH:31]=[CH:32][C:33](=[O:34])[OH:35])[cH:22][cH:23][cH:24]1.[NH2:1][CH2:2][c:3]1[cH:4][c:5]([C:15]#[N:16])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([C:15]#[N:16])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1)[C:33]([CH:32]=[CH:31][c:30]1[c:25](-[c:21]2[cH:20][c:19]([F:18])[cH:24][cH:23][cH:22]2)[n:26][c:27]([C:36]([F:37])([F:38])[F:39])[cH:28][cH:29]1)=[O:34]