HRID1570533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID11344701

未命名化合物

结构：C=Cc1cc(CNC(=O)NCc2ccc(C(C)(C)C)cc2)cc(F)c1NS(C)(=O)=O

HCID11852379

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cc(CNC(=O)C#Cc2ccc(C(C)(C)C)cc2)cc(F)c1NS(C)(=O)=O

HCID11852577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e097897118a546da981966131d0e18f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][C:13](=[O:14])[OH:15])[cH:9][cH:10]1.[CH3:16][S:17](=[O:18])(=[O:19])[NH:20][c:21]1[c:22]([F:45])[cH:23][c:24]([CH2:29][NH:30][C:31]([NH:32][CH2:33][c:34]2[cH:35][cH:36][c:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42][cH:43]2)=[O:44])[cH:25][c:26]1[CH:27]=[CH2:28].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][C:13](=[O:15])[NH:30][CH2:29][c:24]2[cH:23][c:22]([F:45])[c:21]([NH:20][S:17]([CH3:16])(=[O:18])=[O:19])[c:26]([CH:27]=[CH2:28])[cH:25]2)[cH:9][cH:10]1