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

HRID 120826

Reaction equation

HRID 120826 reaction equation
[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]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 900272,2,2-Trifluoroethyl trichloromethanesulphonateHCID 166653HydrideHCID 74081309tert-butyl N-[6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate

Product 1

HCID 145705836tert-butyl N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamate

Sources & evidence

ORD record
ord-1659a7964c61446086d3d5a235abbc40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…