Sodium ion → Ethyl 6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylate

HRID 197941Notes

Reaction equation

HRID 197941 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:7]([CH3:8])[O:9][C:10](=[O:11])[c:12]1[n:13][c:14]([Br:18])[cH:15][cH:16][cH:17]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Na+:5].[Na+:6].[OH2:54].[OH:19][C:20]([CH2:21][C:22]1([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH2:23][CH2:24][N:25]([CH:29]([CH3:30])[c:31]2[cH:32][cH:33][c:34]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:35][cH:36]2)[C:26](=[O:28])[O:27]1)([CH3:52])[CH3:53]>>[CH2:7]([CH3:8])[O:9][C:10](=[O:11])[c:12]1[n:13][c:14](-[c:34]2[cH:33][cH:32][c:31]([CH:29]([N:25]3[CH2:24][CH2:23][C:22]([CH2:21][C:20]([OH:19])([CH3:52])[CH3:53])([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[O:27][C:26]3=[O:28])[CH3:30])[cH:36][cH:35]2)[cH:15][cH:16][cH:17]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2758810Ethyl 6-BromopicolinateHCID 670197526-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Product 1

HCID 76800650Ethyl 6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-2-carboxylate

Sources & evidence

ORD record
ord-7b30f5ef8a8848c9807855a4d73ccf41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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