Acetate → HCID 178496280, compound

HRID 1116632Notes

Reaction equation

HRID 1116632 reaction equation
[C:31]([O-:32])(=[O:33])[CH3:34].[CH3:21][O:22][CH2:23][C:24]([CH2:25][C:26](=[O:27])[O:28][CH3:29])=[O:30].[CH3:39][OH:40].[ClH:20].[F:5][c:6]1[c:7]([NH2:8])[cH:9][cH:10][c:11]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:12]1[F:13].[N:1]([O-:2])=[O:3].[Na+:35].[Na+:37].[Na+:4].[OH-:36].[OH2:38]>>[N:1]([NH:8][c:7]1[c:6]([F:5])[c:12]([F:13])[c:11]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:10][cH:9]1)=[C:25]([C:24]([CH2:23][O:22][CH3:21])=[O:30])[C:26](=[O:27])[O:28][CH3:29]

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ion3×HCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 123500Methyl 4-methoxyacetoacetateHCID 58072523HCID 58072523, compound

Product 1

HCID 178496280HCID 178496280, compound

Sources & evidence

ORD record
ord-438dc3b10c2b4eac808c56f9fc892bfc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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