Acetone → 2-[3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazin-4-yl]acetaldehyde

HRID 152284Notes

Reaction equation

HRID 152284 reaction equation
[CH3:28][C:29](=[O:30])[CH3:31].[O:1]1[CH:2]([CH2:6][N:7]2[c:8]3[c:9]([cH:13][cH:14][cH:15][n:16]3)[O:10][CH2:11][CH2:12]2)[O:5][CH2:4][CH2:3]1.[OH2:32].[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1>>[O:1]=[CH:2][CH2:6][N:7]1[c:8]2[c:9]([cH:13][cH:14][cH:15][n:16]2)[O:10][CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 179639403,4-dihydro-4-[(1,3-dioxolan-2-yl)methyl]-2H-pyrido[3,2-b]-1,4-oxazine

Product 1

HCID 179639722-[3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazin-4-yl]acetaldehyde

Sources & evidence

ORD record
ord-68c4f6ac2b824f6aa28296631379039a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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