HRID173771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID123057

1-(Bromomethyl)-2-(trifluoromethyl)benzene

C8H6BrF3

HCID166653

Hydride

H-

反应SMILES：CC(C)C(=O)NC1CCc2[nH]c3ccc(C#N)cc3c2C1

HCID57431662

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)C(=O)NC1CCc2c(c3cc(C#N)ccc3n2Cc2ccccc2C(F)(F)F)C1

HCID59161261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-175c361b117849bc91aae74638d1ee46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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