Citric Acid → 3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl]prop-2-enoic acid

HRID 1539962Notes

Reaction equation

HRID 1539962 reaction equation
[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11](=[O:27])[NH:12][C:13]1([O:14]2)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]1)=[O:29].[Na+:31].[OH-:30].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[O:2]=[C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:28]1)[C:11](=[O:27])[NH:12][C:13]1([O:14]2)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]1)[OH:29]

Participants

5

Reactant 4

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 66932323tert-butyl 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate

Product 1

HCID 669323563-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl]prop-2-enoic acid

Sources & evidence

ORD record
ord-a698104425074db9a0aa99bec65d5982
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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