HRID138751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21100180

未命名化合物

结构：CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)O)C(F)(F)F

HCID21100306

5-(Methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

C11H11F3O5S

PRODUCTS

生成物

结构：CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(CC(F)(F)F)s2)CC1)C(F)(F)F

HCID11592017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65d9b0a7fd8c4d67b1f5971cdbefc5e7
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

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