HRID954985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID12401951

2-Bromo-1-(4-ethylphenyl)ethan-1-one

C10H11BrO

结构：CCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c2s1

HCID59351770

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(C(=O)Cn2c(=O)c3cc(CC)sc3n(Cc3ccc(-c4ccccc4C#N)cc3)c2=O)cc1

HCID59351562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f76eaefe7fd48d5b383c46d7b18a1d3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:29][CH2:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][c:36]([CH2:39][CH3:40])[cH:37][cH:38]1.[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[nH:9][c:10]2=[O:11])[s:28]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[H-:46].[Na+:47]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[n:9]([CH2:30][C:31](=[O:32])[c:33]3[cH:34][cH:35][c:36]([CH2:39][CH3:40])[cH:37][cH:38]3)[c:10]2=[O:11])[s:28]1