HRID308652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21100184

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：CCCCS(=O)(=O)c1cnc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OC(C)C(F)(F)F)CC2)s1

HCID11599576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec9d3489b3c94930ab8ad7310f5eec89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:22]([CH2:23][CH2:24][CH3:25])[S:26](=[O:27])(=[O:28])[c:29]1[cH:30][n:31][c:32]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[s:33]1.[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]>>[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:37]2[CH2:36][CH2:35][N:34]([c:32]3[n:31][cH:30][c:29]([S:26]([CH2:22][CH2:23][CH2:24][CH3:25])(=[O:27])=[O:28])[s:33]3)[CH2:39][CH2:38]2)[cH:13]1