HRID1552809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21100178

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：Cc1nc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OC(C)C(F)(F)F)CC2)sc1C(F)(F)F

HCID21100166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92174fa058934c8aabe7d318aba6da90
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

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