Sodium ion → 6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one

HRID 1548474Notes

Reaction equation

HRID 1548474 reaction equation
[N:34](=[O:35])[O-:36].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:14]([CH3:15])[N:16]3[C:17](=[O:33])[O:18][C:19]([CH2:22][CH2:23][CH2:24][OH:25])([c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[CH2:20][CH2:21]3)[cH:12][cH:13]2)[cH:6][n:7]1.[Na+:37].[Na+:39].[OH-:38].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[c:2]1(=[O:35])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:14]([CH3:15])[N:16]3[C:17](=[O:33])[O:18][C:19]([CH2:22][CH2:23][CH2:24][OH:25])([c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[CH2:20][CH2:21]3)[cH:12][cH:13]2)[cH:6][nH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 946NitriteHCID 961HydroxideHCID 1118Sulfuric AcidHCID 72344406HCID 72344406, compound

Product 1

HCID 913290016-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Sources & evidence

ORD record
ord-6eebb361afc74e9db069c39cad460ca0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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