Acetate → Coumarin

HRID 158598

Reaction equation

HRID 158598 reaction equation
[CH3:19][C:20](=[O:21])[O-:22].[CH3:26][C:27](=[O:28])[CH3:29].[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]2[cH:11][cH:12][c:13](=[O:17])[o:14][c:15]2[cH:16]1.[Cl-:23].[ClH:25].[N:1]([O-:2])=[O:3].[Na+:18].[Na+:4].[OH2:24]>>[cH:7]1[cH:8][cH:9][c:10]2[cH:11][cH:12][c:13](=[O:17])[o:14][c:15]2[cH:16]1

Participants

9

Reactant 8

HCID 175AcetateHCID 180AcetoneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 10748Methylumbelliferone

Product 1

HCID 323Coumarin

Sources & evidence

ORD record
ord-0c3dd54f98c2488fa4a6fff9ed7aebe6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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