HRID183717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9255

Oxazole

C3H3NO

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

反应SMILES：CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1

HCID10991161

tert-Butyl 4-[(trifluoromethanesulfonyl)oxy]-3,6-dihydropyridine-1(2H)-carboxylate

C11H16F3NO5S

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CC=C(c2ncco2)CC1

HCID68876762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-12ae8173af5f4f0c9b811ceae7ffb142
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][C:21]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])=[CH:22][CH2:23]1.[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl-:52].[Cl-:54].[O-:32][S:33]([C:34]([F:35])([F:36])[F:37])(=[O:38])=[O:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[Pd:45].[Zn+2:53].[o:1]1[cH:2][n:3][cH:4][cH:5]1>>[o:1]1[c:2]([C:21]2=[CH:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]2)[n:3][cH:4][cH:5]1