Acetic Acid → 3-[2-[(4-Bromophenyl)-(4-fluorophenylamino)methyl]-5-(tert-butyl-dimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]-4-phenyloxazolidin-2-one

HRID 310432Notes

Reaction equation

HRID 310432 reaction equation
[Br:34][c:35]1[cH:36][cH:37][c:38]([CH:39]=[N:40][c:41]2[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]2)[cH:48][cH:49]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[N:13]1[C:14](=[O:24])[O:15][CH2:16][CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33].[C:64]([OH:65])(=[O:66])[CH:67]([CH:68]([C:69]([OH:70])=[O:71])[OH:72])[OH:73].[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:59][Si:60]([Cl:61])([CH3:62])[CH3:63].[CH3:87][C:88](=[O:89])[OH:90].[Cl-:82].[Cl-:83].[Cl-:84].[Cl-:85].[Cl:79][CH2:80][Cl:81].[Na+:74].[OH:75][S:76](=[O:77])[O-:78].[Ti+4:86]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]([C:11](=[O:12])[N:13]1[C:14](=[O:24])[O:15][CH2:16][CH:17]1[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:39]([c:38]1[cH:37][cH:36][c:35]([Br:34])[cH:49][cH:48]1)[NH:40][c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33]

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312Chloride4×HCID 8752,3-Dihydroxybutanedioic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 6397ChlorotrimethylsilaneHCID 81531DiisopropylethylamineHCID 104748BisulfiteHCID 114942Titanium cation (4+)HCID 904271N-[(4-Bromophenyl)methylene]-4-fluorobenzenamineHCID 121116183-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one

Product 1

HCID 222520673-[2-[(4-Bromophenyl)-(4-fluorophenylamino)methyl]-5-(tert-butyl-dimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]-4-phenyloxazolidin-2-one

Sources & evidence

ORD record
ord-e260796746c24d1f9427ea3adff2f93b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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