Acetic Acid → 3-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)-1-(4-fluorophenylamino)-2-(2-oxo-4-phenyloxazolidine-3-carbonyl)pentyl]benzonitrile
Reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[Si:14]([O:15][CH:16]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[N:22]1[C:23](=[O:33])[O:24][CH2:25][CH:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)([CH3:41])[CH3:42].[C:65]([OH:66])(=[O:67])[CH:68]([CH:69]([C:70]([OH:71])=[O:72])[OH:73])[OH:74].[CH2:80]([Cl:81])[Cl:82].[CH3:60][Si:61]([Cl:62])([CH3:63])[CH3:64].[CH3:88][C:89](=[O:90])[OH:91].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl-:83].[Cl-:84].[Cl-:85].[Cl-:86].[F:43][c:44]1[cH:45][cH:46][c:47]([N:50]=[CH:51][c:52]2[cH:53][c:54]([C:55]#[N:56])[cH:57][cH:58][cH:59]2)[cH:48][cH:49]1.[Na+:79].[S:75]([O-:76])([OH:77])=[O:78].[Ti+4:87]>>[C:10]([CH3:11])([CH3:12])([CH3:13])[Si:14]([O:15][CH:16]([CH2:17][CH2:18][CH:19]([C:20](=[O:21])[N:22]1[C:23](=[O:33])[O:24][CH2:25][CH:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH:51]([NH:50][c:47]1[cH:46][cH:45][c:44]([F:43])[cH:49][cH:48]1)[c:52]1[cH:53][c:54]([C:55]#[N:56])[cH:57][cH:58][cH:59]1)[c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)([CH3:41])[CH3:42]Participants
12
Reactant 11
HCID 176Acetic Acid
HCID 312Chloride4×
HCID 8752,3-Dihydroxybutanedioic Acid
HCID 923Sodium ion
HCID 6344Dichloromethane
HCID 6397Chlorotrimethylsilane
HCID 81531Diisopropylethylamine
HCID 104748Bisulfite
HCID 114942Titanium cation (4+)
HCID 121116183-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one
HCID 222520513-[(4-Fluorophenylimino)methyl]benzonitrileProduct 1
Sources & evidence
- ORD record
- ord-39fecca7558d4af2a4d064753b58b31a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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