HRID159752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2735178

2-(methylsulfonyl)benzenesulfonyl chloride

C7H7ClO4S2

HCID59276571

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C(=O)OC(C)(C)C)c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12

HCID22567145

1,1-Dimethylethyl 3-methyl-5-[[[2-(methylsulfonyl)phenyl]sulfonyl]amino]-1H-indazole-1-carboxylate

C20H23N3O6S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c7b69f27d85443d84c83ab04ab35d4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:24][S:25](=[O:26])(=[O:27])[c:28]1[c:29]([S:34](=[O:35])(=[O:36])[Cl:37])[cH:30][cH:31][cH:32][cH:33]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([CH3:18])[n:6][n:7]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[c:8]2[cH:9][cH:10]1.[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([CH3:18])[n:6][n:7]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[c:8]2[cH:9][cH:10]1)[S:34]([c:29]1[c:28]([S:25]([CH3:24])(=[O:26])=[O:27])[cH:33][cH:32][cH:31][cH:30]1)(=[O:35])=[O:36]