Acetic Acid → HCID 86644107, compound

HRID 680796Notes

Reaction equation

HRID 680796 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[Cl-:29].[ClH:25].[F:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[N:13][C:14]([CH3:23])([CH3:24])[O:15][c:16]3[c:17]2[cH:18][cH:19][c:20]([NH2:22])[cH:21]3)[cH:10][cH:11]1.[N:1]([O-:2])=[O:3].[Na+:4].[O:26]=[S:27]=[O:28].[OH2:30]>>[F:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[N:13][C:14]([CH3:23])([CH3:24])[O:15][c:16]3[c:17]2[cH:18][cH:19][c:20]([S:27]([Cl:25])(=[O:26])=[O:28])[cH:21]3)[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1119Sulfur DioxideHCID 59442944HCID 59442944, compound

Product 1

HCID 86644107HCID 86644107, compound

Sources & evidence

ORD record
ord-e12c30029c5346edaaf35c74f7f958dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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