HRID1235721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8078

Cyclohexane

C6H12

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

HCID16038260

4-(Chloromethyl)-2-(4-fluorophenyl)-1,3-oxazole

C10H7ClFNO

HCID71413883

2-(Hydroxyimino)-3-methoxy-3-methylbutanenitrile

C6H10N2O2

PRODUCTS

产物

反应SMILES：COC(C)(C)C(C#N)=NOCc1coc(-c2ccc(F)cc2)n1

HCID73503830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9a275847f18d4edd8da8d1652719bfd6
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

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