Acetic Acid → Tert-butyl 2-methoxyimino-3-oxobutyrate

HRID 670468Notes

Reaction equation

HRID 670468 reaction equation
[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[CH2:8][C:9]([CH3:10])=[O:11].[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][O:36][S:37]([O:38][CH3:39])(=[O:40])=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[Cl:47][CH2:48][Cl:49].[K+:33].[K+:34].[N:12]([O-:13])=[O:14].[Na+:15].[OH2:46].[OH:16][N:17]=[C:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[C:26]([CH3:27])=[O:28]>>[CH3:1][O:16][N:17]=[C:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[C:26]([CH3:27])=[O:28]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 6344DichloromethaneHCID 6497Dimethyl SulfateHCID 15538Tert-butyl acetoacetateHCID 19660Carbonate IonHCID 178468384tert-butyl 2-hydroxyimino-3-oxobutanoate

Product 1

HCID 54110352Tert-butyl 2-methoxyimino-3-oxobutyrate

Sources & evidence

ORD record
ord-25387f49bcf945ac926bcb4f9d7aae4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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