HRID1205292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=C(Nc1ccc(S(=O)(=O)N2C=CC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1

HCID18387449

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CCC1C=CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1

HCID70154856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6d277e921a4421887231f2f66197866
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[OH:6][CH2:7][CH2:8][CH:9]1[S:10][c:11]2[c:12]([cH:40][cH:41][cH:42][cH:43]2)[N:13]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[c:28](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:29][cH:30][cH:31][cH:32]3)=[O:39])[cH:23][cH:24]2)[CH:14]=[CH:15]1>>[CH3:1][S:2](=[O:4])(=[O:5])[CH2:7][CH2:8][CH:9]1[S:10][c:11]2[c:12]([cH:40][cH:41][cH:42][cH:43]2)[N:13]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[c:28](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:29][cH:30][cH:31][cH:32]3)=[O:39])[cH:23][cH:24]2)[CH:14]=[CH:15]1