Acetone → 2-(4-Acetamidobenzenesulphonyl)-3-carboxy-3,6-dihydro-6-(4-ethoxyphenyl)-5-methyl-2H-1,2-oxazine

HRID 119953

Reaction equation

HRID 119953 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[O:15][CH:16]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:30][CH3:31])[cH:27][cH:28]3)[C:17]([CH3:22])=[CH:18][CH:19]2[CH2:20][OH:21])[cH:9][cH:10]1.[CH3:46][C:47](=[O:48])[CH3:49].[Cr:32](=[O:33])([OH:34])([OH:35])=[O:36].[Na+:44].[Na+:45].[S:37]([S:38]([O-:39])=[O:40])([O-:41])(=[O:42])=[O:43]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[O:15][CH:16]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:30][CH3:31])[cH:27][cH:28]3)[C:17]([CH3:22])=[CH:18][CH:19]2[C:20](=[O:21])[OH:33])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ion2×HCID 24425Chromic AcidHCID 159940DisulfiteHCID 184015412-(4-acetamidobenzenesulphonyl)-3,6-dihydro-6-(4-ethoxyphenyl)-3-hydroxymethyl-5-methyl-2H-1,2-oxazine

Product 1

HCID 98470732-(4-Acetamidobenzenesulphonyl)-3-carboxy-3,6-dihydro-6-(4-ethoxyphenyl)-5-methyl-2H-1,2-oxazine

Sources & evidence

ORD record
ord-f13ad780e8b947cca1c30e268c00f7d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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