Bromide ion → (2S)-2-{[(4S,5S)-3-[(tert-butoxy)carbonyl]-4-[(2S)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidin-5-yl]methyl}-3-methylbutanoic acid
Reaction equation
[Br-:74].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:40])([CH3:41])[O:10][CH:11]([CH2:33][CH:34]([CH:35]([CH3:36])[CH3:37])[CH:38]=[O:39])[CH:12]1[CH2:13][CH:14]([CH2:15][c:16]1[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[CH:30]([CH3:31])[CH3:32].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH3:75][CH2:76][CH2:77][CH2:78][N+:79]([CH2:80][CH2:81][CH2:82][CH3:83])([CH2:84][CH2:85][CH2:86][CH3:87])[CH2:88][CH2:89][CH2:90][CH3:91].[K+:47].[Mn:42](=[O:43])([O-:44])(=[O:45])=[O:46].[Na+:52].[Na+:53].[OH2:92].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66].[S:48]([O-:49])([O-:50])=[O:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:40])([CH3:41])[O:10][CH:11]([CH2:33][CH:34]([CH:35]([CH3:36])[CH3:37])[C:38](=[O:39])[OH:43])[CH:12]1[CH2:13][CH:14]([CH2:15][c:16]1[cH:17][c:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[CH:30]([CH3:31])[CH3:32]Participants
11
Reactant 10
HCID 259Bromide ion
HCID 311Citric Acid
HCID 813Potassium Cation
HCID 923Sodium ion2×
HCID 962Water
HCID 1099Sulfite
HCID 1140Toluene
HCID 16028Tetrabutylammonium
HCID 24401Permanganate
HCID 178495332tert-butyl 5-(2-formyl-3-methylbutyl)-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-89a76060287a4a4fafdaa9e530fcba36
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…