Acetate → HCID 178496272, compound

HRID 2145639Notes

Reaction equation

HRID 2145639 reaction equation
[C:28]([O-:29])(=[O:30])[CH3:31].[CH3:18][O:19][CH2:20][C:21]([CH2:22][C:23](=[O:24])[O:25][CH3:26])=[O:27].[CH3:35][CH2:36][OH:37].[ClH:33].[F:1][C:2]1([F:13])[O:3][c:4]2[c:5]([cH:7][c:8]([F:12])[c:9]([NH2:11])[cH:10]2)[O:6]1.[N:14]([O-:15])=[O:16].[Na+:17].[Na+:32].[OH2:34]>>[F:1][C:2]1([F:13])[O:3][c:4]2[c:5]([cH:7][c:8]([F:12])[c:9]([NH:11][N:14]=[C:22]([C:21]([CH2:20][O:19][CH3:18])=[O:27])[C:23](=[O:24])[O:25][CH3:26])[cH:10]2)[O:6]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 123500Methyl 4-methoxyacetoacetateHCID 144057002,2,6-Trifluoro-2H-1,3-benzodioxol-5-amine

Product 1

HCID 178496272HCID 178496272, compound

Sources & evidence

ORD record
ord-9db519260b9945b6b044fe3316ba68ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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