Acetic Acid → 3,7-Dichloro-1,2,4-benzotriazine

HRID 155685Notes

Reaction equation

HRID 155685 reaction equation
[CH3:16][C:17](=[O:18])[OH:19].[Cl-:14].[Cl:1][c:2]1[n:3][n+:4]([O-:13])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([Cl:12])[cH:11]2.[NH4+:15].[OH2:20].[Zn:21]>>[Cl:1][c:2]1[n:3][n:4][c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([Cl:12])[cH:11]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 23994ZincHCID 130939893,7-Dichloro-1-oxo-1lambda~5~,2,4-benzotriazine

Product 1

HCID 205554783,7-Dichloro-1,2,4-benzotriazine

Sources & evidence

ORD record
ord-755fe1d314bb4d058ebe363fc60d63e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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