HRID306981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID947

Nitrogen

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID11776

Triphenylphosphine

C18H15P

HCID62324

Propanoyl chloride

C3H5ClO

HCID105144

Palladium(2+)

Pd+2

HCID359337

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(4-methoxyphenyl)-

C12H15NO2

HCID3028194

Lithium

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CCC(=O)c1cc(OC)ccc1C1=NC(C)(C)CO1

HCID10611435

1-[2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-5-methoxyphenyl]-1-propanone

C15H19NO3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e6b2743c72f3478d80a0c4d55bbcecd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:43]([CH2:44][CH3:45])(=[O:46])[Cl:47].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH2:18]([Li:19])[CH2:20][CH2:21][CH3:22].[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[N:13][C:12]([CH3:14])([CH3:15])[CH2:11][O:10]2)[cH:7][cH:8]1.[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Li:23].[N:16]#[N:17].[Pd+2:63].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[N:13][C:12]([CH3:14])([CH3:15])[CH2:11][O:10]2)[c:7]([C:43]([CH2:44][CH3:45])=[O:46])[cH:8]1