Chloride → tert-butyl 4-[3-[[4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

HRID 1575101Notes

Reaction equation

HRID 1575101 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH2:15][CH:16]([c:17]2[n:18][o:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][c:28]3[cH:29][c:30]([B:34]([OH:35])[OH:36])[cH:31][cH:32][cH:33]3)[cH:37][cH:38]2)=[O:39])[C:10](=[O:13])[O:11][CH2:12]1.[Cl-:68].[F:40][C:41]([F:42])([F:43])[S:44]([O:45][C:46]1=[CH:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]1)(=[O:59])=[O:60].[Li+:67].[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[OH2:69]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH2:15][CH:16]([c:17]2[n:18][o:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][c:28]3[cH:29][c:30]([C:46]4=[CH:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]4)[cH:31][cH:32][cH:33]3)[cH:37][cH:38]2)=[O:39])[C:10](=[O:13])[O:11][CH2:12]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 10991161Tert-butyl 4-(trifluoromethanesulfonyloxy)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 72251057[3-[[4-[3-(4-Benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]phenyl]boronic acid

Product 1

HCID 178451742tert-butyl 4-[3-[[4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Sources & evidence

ORD record
ord-cb04ab268d3244de850531b13de1cc47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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