Acetic Acid → 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonyl chloride

HRID 1209313Notes

Reaction equation

HRID 1209313 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl-:29].[ClH:31].[N:1]([O-:2])=[O:3].[NH2:5][c:6]1[cH:7][cH:8][cH:9][c:10]2[c:11](=[O:23])[c:12]([CH3:22])[c:13](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[o:14][c:15]12.[Na+:4].[O:24]=[S:25]=[O:26].[OH2:27].[OH2:28].[OH2:30]>>[c:6]1([S:25](=[O:24])(=[O:26])[Cl:29])[cH:7][cH:8][cH:9][c:10]2[c:11](=[O:23])[c:12]([CH3:22])[c:13](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[o:14][c:15]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962Water3×HCID 1119Sulfur DioxideHCID 199728088-amino-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran

Product 1

HCID 199727993-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonyl chloride

Sources & evidence

ORD record
ord-2720f7276016466990f3b3f64d22d92e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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