HRID2129379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8058

n-Hexane

C6H14

结构：CC(C)N(C(=O)c1cc(F)cc(C(F)(F)F)c1)C(C)C

HCID44203143

3-Fluoro-N,N-bis(1-methylethyl)-5-(trifluoromethyl)benzamide

C14H17F4NO

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)c1cc(C(F)(F)F)cc(F)c1C=O)C(C)C

HCID57753655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-021fd32d672c46ce823da822c36b62e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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