Acetic Acid → 1'-(4-oxocyclohexyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

HRID 94221Notes

Reaction equation

HRID 94221 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[Na+:28].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([N:11]1[CH2:12][CH2:13][C:14]3([c:15]4[c:16]([cH:21][cH:22][cH:23][cH:24]4)[NH:17][C:18](=[O:20])[O:19]3)[CH2:25][CH2:26]1)[CH2:9][CH2:10]2.[OH-:27].[OH2:33]>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([N:11]2[CH2:12][CH2:13][C:14]3([c:15]4[c:16]([cH:21][cH:22][cH:23][cH:24]4)[NH:17][C:18](=[O:20])[O:19]3)[CH2:25][CH2:26]2)[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 250609581'-(1,4-dioxaspiro[4.5]decan-8-yl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

Product 1

HCID 250604491'-(4-oxocyclohexyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

Sources & evidence

ORD record
ord-813dab7ddccd4c3c9666b48b67ad1390
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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