HRID120826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID90027

2,2,2-Trifluoroethyl trichloromethanesulphonate

C3H2Cl3F3O3S

HCID166653

Hydride

H-

HCID74081309

未命名化合物

PRODUCTS

产物

HCID145705836

tert-butyl N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamate

C19H23F5N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1659a7964c61446086d3d5a235abbc40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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