Sodium ion → tert-butyl 2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methoxy]acetate

HRID 2311711Notes

Reaction equation

HRID 2311711 reaction equation
[Br:32][CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[Cl:3][c:4]1[cH:5][c:6]([CH2:30][OH:31])[c:7]([O:8][CH2:9][C:10](=[O:11])[N:12]2[CH:13]([CH3:27])[CH2:14][N:15]([CH2:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH:16]([CH3:18])[CH2:17]2)[cH:28][cH:29]1.[H-:1].[Na+:2].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[Cl:3][c:4]1[cH:5][c:6]([CH2:30][O:31][CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:7]([O:8][CH2:9][C:10](=[O:11])[N:12]2[CH:13]([CH3:27])[CH2:14][N:15]([CH2:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH:16]([CH3:18])[CH2:17]2)[cH:28][cH:29]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 79177tert-Butyl bromoacetateHCID 166653HydrideHCID 219734062-[4-Chloro-2-(hydroxymethyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Product 1

HCID 178430722tert-butyl 2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methoxy]acetate

Sources & evidence

ORD record
ord-de86cfac3c33413aa427bf3561de2d81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…