HRID305436

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

HCID69179

Bromomethyl 2-naphthyl ketone

C12H9BrO

HCID166653

Hydride

H-

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：CCc1cc2c(=O)n(CC(=O)c3ccc4ccccc4c3)c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c2s1

HCID59351820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-479b65a6f4364695a8095b122fe6faf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:29][CH2:30][C:31](=[O:32])[c:33]1[cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[cH:41][cH:42]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.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[H-:48].[Na+:49]>>[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][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[cH:41][cH:42]3)[c:10]2=[O:11])[s:28]1