HRID171775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1

HCID12043043

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1

HCID12972895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d9e712c058b46108c711300e136c671
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

[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[Cl:7].[CH3:35][N:36]([CH3:37])[c:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[c:8]1([C:14]#[C:15][c:16]2[cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]3[c:24]([S:29]([NH2:30])(=[O:31])=[O:32])[cH:25][cH:26][cH:27][cH:28]3)[cH:33][cH:34]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[NH:30][S:29]([c:24]1[c:23]([NH:22][C:20]([c:19]2[cH:18][cH:17][c:16]([C:15]#[C:14][c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[cH:34][cH:33]2)=[O:21])[cH:28][cH:27][cH:26][cH:25]1)(=[O:31])=[O:32]