HRID1235621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID67968

alpha-Bromo-o-fluorotoluene

C7H6BrF

HCID166653

Hydride

H-

结构：Cc1ccc(C(=O)c2c[nH]c3ccc(C(F)(F)F)cc3c2=O)cc1C

HCID57754572

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C(F)(F)F)cc3c2=O)cc1C

HCID16730615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a37f054a920547699d51dda427b9d6ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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