HRID2340666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID66856789

未命名化合物

HCID68782026

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1cc(F)c(NS(C)(=O)=O)c(C(F)(F)F)c1

HCID72335628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0a21f5f532147d9b927a5ba75c5141f
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

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