HRID103420

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-

HCID7061846

3-Fluoro-4-methoxyphenacyl bromide

C9H8BrFO2

结构：CCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3F)c2s1

HCID59351568

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(=O)n(CC(=O)c3ccc(OC)c(F)c3)c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3F)c2s1

HCID59351708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a972cd7605334c4294774b8beb6fe72f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:30][CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36]([F:42])[c:37]([O:40][CH3:41])[cH:38][cH:39]1.[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[c:15]([F:28])[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:29]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[c:15]([F:28])[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]([CH2:31][C:32](=[O:33])[c:34]3[cH:35][c:36]([F:42])[c:37]([O:40][CH3:41])[cH:38][cH:39]3)[c:10]2=[O:11])[s:29]1