HRID676870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID102394

3-Methyl-2-butenoyl chloride

C5H7ClO

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

HCID59057415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dc0f1adfc414166b8c9720724bff9a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][C:2](=[CH:3][C:4](=[O:5])[Cl:6])[CH3:7].[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>>[CH3:1][C:2](=[CH:3][C:4](=[O:5])[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])[CH3:7]