Chloride → 3-[4-[4-(3,5-Dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

HRID 1218030Notes

Reaction equation

HRID 1218030 reaction equation
[CH2:45]([CH2:46][O:47][CH3:48])[O:49][CH3:50].[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[c:17]3[cH:18][c:19]([F:39])[c:20]([N:23]4[C:24](=[O:38])[O:25][CH2:26][CH:27]4[CH2:28][O:29][C:30](=[O:31])[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[cH:21][cH:22]3)[CH2:13][CH2:14]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl-:44].[ClH:42].[Na+:41].[Na+:43].[OH-:40]>>[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[c:17]3[cH:18][c:19]([F:39])[c:20]([N:23]4[C:24](=[O:38])[O:25][CH2:26][CH:27]4[CH2:28][OH:29])[cH:21][cH:22]3)[CH2:13][CH2:14]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 67381175[3-[4-[4-(3,5-Dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate

Product 1

HCID 673822813-[4-[4-(3,5-Dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

Sources & evidence

ORD record
ord-269aa82e87774bed8c04f0f8fa461f9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…