HRID1575667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID4965

Bromomethyl 4-methoxyphenyl ketone

C9H9BrO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)c(F)c3)c2s1

HCID59351797

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4C#N)c(F)c3)c2s1

HCID59351566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c3bdaaf139d43bfbb742e53cb5e2f93
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

[Br:30][CH2:31][C:32](=[O:33])[c:34]1[cH:35][cH:36][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[cH:15][c:16]([F:28])[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.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[H-:47].[Na+:48]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][c:16]([F:28])[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][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[c:10]2=[O:11])[s:29]1