HRID1135299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2550

1-(2-Methyl-3-sulfanylpropanoyl)proline

C9H15NO3S

结构：NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl

HCID2732

Chlorthalidone

C14H11ClN2O4S

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

结构：CC(CSC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21)C(=O)N1CCCC1C(=O)O

HCID178460704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-333dbb5e6ecd4950a43c435344cfb819
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[ClH:37].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:12]2([OH:13])[NH:14][C:15](=[O:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:8][cH:9][c:10]1[Cl:11].[SH:23][CH2:24][CH:25]([C:26](=[O:27])[N:28]1[CH:29]([C:30](=[O:31])[OH:32])[CH2:33][CH2:34][CH2:35]1)[CH3:36]>>[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:12]2([S:23][CH2:24][CH:25]([C:26](=[O:27])[N:28]3[CH:29]([C:30](=[O:31])[OH:32])[CH2:33][CH2:34][CH2:35]3)[CH3:36])[NH:14][C:15](=[O:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:8][cH:9][c:10]1[Cl:11]