Carbonate Ion → 6-(3-Hydroxypropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

HRID 1539741Notes

Reaction equation

HRID 1539741 reaction equation
[Br:35][c:36]1[cH:37][c:38](=[O:43])[n:39]([CH3:42])[cH:40][cH:41]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[Cs+:48].[Cs+:49].[OH:1][CH2:2][CH2:3][CH2:4][C:5]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:6][CH2:7][N:8]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:18][cH:19]2)[C:9](=[O:11])[O:10]1>>[OH:1][CH2:2][CH2:3][CH2:4][C:5]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:6][CH2:7][N:8]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17](-[c:36]3[cH:37][c:38](=[O:43])[n:39]([CH3:42])[cH:40][cH:41]3)[cH:18][cH:19]2)[C:9](=[O:11])[O:10]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 221323964-Bromo-1-methylpyridin-2(1H)-oneHCID 723443116-(3-Hydroxypropyl)-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 723443946-(3-Hydroxypropyl)-3-[1-[4-(1-methyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

Sources & evidence

ORD record
ord-3418380ee10d4750a274ce4335ae49b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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