Acetic Acid → HCID 20230169, compound

HRID 698376Notes

Reaction equation

HRID 698376 reaction equation
[CH3:23][C:24](=[O:25])[OH:26].[Cl-:18].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:13][NH:12][C:11](=[O:14])[NH:10][CH:9]2[CH3:15])[cH:6][cH:7]1.[O:20]=[S:21]=[O:22].[OH2:16].[OH2:17].[OH2:19]>>[c:2]1([S:21]([Cl:18])(=[O:20])=[O:22])[cH:3][cH:4][c:5]([C:8]2=[N:13][NH:12][C:11](=[O:14])[NH:10][CH:9]2[CH3:15])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 312ChlorideHCID 962Water3×HCID 1119Sulfur DioxideHCID 133860336-(4-aminophenyl)-5-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

Product 1

HCID 20230169HCID 20230169, compound

Sources & evidence

ORD record
ord-4f71607782ea461e9610b8809c79d3e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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