Acetic Acid → 3-(5-(Tert-butyldimethylsilanyloxy)-5-(4-fluorophenyl)-2-[(4-fluorophenyl-amino)-(4-hydroxyphenyl)methyl]pentanoyl)-4-phenyloxazolidin-2-one

HRID 1545975Notes

Reaction equation

HRID 1545975 reaction equation
[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].[CH3:84][C:85](=[O:86])[OH:87].[Cl-:79].[Cl-:80].[Cl-:81].[Cl-:82].[F:34][c:35]1[cH:36][cH:37][c:38]([N:41]=[CH:42][c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)[cH:39][cH:40]1.[Na+:74].[OH:75][S:76](=[O:77])[O-:78].[Ti+4:83]>>[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:42]([NH:41][c:38]1[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]1)[c:43]1[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]1)[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:32])[CH3:33]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 312Chloride4×HCID 8752,3-Dihydroxybutanedioic AcidHCID 923Sodium ionHCID 6397ChlorotrimethylsilaneHCID 81531DiisopropylethylamineHCID 104748BisulfiteHCID 114942Titanium cation (4+)HCID 7202544-[[(4-Fluorophenyl)imino]methyl]phenolHCID 121116183-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one

Product 1

HCID 222520473-(5-(Tert-butyldimethylsilanyloxy)-5-(4-fluorophenyl)-2-[(4-fluorophenyl-amino)-(4-hydroxyphenyl)methyl]pentanoyl)-4-phenyloxazolidin-2-one

Sources & evidence

ORD record
ord-cb05e107685d4bb7b5fd006e8447e669
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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