Acetic Acid → HCID 86644106, compound

HRID 1228909Notes

Reaction equation

HRID 1228909 reaction equation
[CH3:29][C:30]#[N:31].[CH3:33][C:34](=[O:35])[OH:36].[ClH:21].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[CH:9][C:10]([CH3:19])([CH3:20])[O:11][c:12]3[cH:13][c:14]([NH2:18])[cH:15][cH:16][c:17]32)[cH:6][cH:7]1.[N:22]([O-:23])=[O:24].[Na+:25].[O:26]=[S:27]=[O:28].[OH2:32]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[CH:9][C:10]([CH3:19])([CH3:20])[O:11][c:12]3[cH:13][c:14]([S:27]([Cl:21])(=[O:26])=[O:28])[cH:15][cH:16][c:17]32)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1119Sulfur DioxideHCID 6342AcetonitrileHCID 59443017HCID 59443017, compound

Product 1

HCID 86644106HCID 86644106, compound

Sources & evidence

ORD record
ord-1585cabaa23a4a9aa33dcefa0aaa1ee4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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