HRID86743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID2735178

2-(methylsulfonyl)benzenesulfonyl chloride

C7H7ClO4S2

HCID22567169

3-(4-Chlorophenyl)-1H-indazol-5-amine

C13H10ClN3

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(Cl)cc3)c2c1

HCID22567333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5ea08db30f647c38afb89ed859defe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([S:11](=[O:12])(=[O:13])[Cl:14])[cH:7][cH:8][cH:9][cH:10]1.[NH2:15][c:16]1[cH:17][c:18]2[c:19](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[n:20][nH:21][c:22]2[cH:23][cH:24]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([S:11](=[O:12])(=[O:13])[NH:15][c:16]2[cH:17][c:18]3[c:19](-[c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]4)[n:20][nH:21][c:22]3[cH:23][cH:24]2)[cH:7][cH:8][cH:9][cH:10]1