Potassium Cation → 4-(5-bromo-2-fluorobenzyl)-5-methoxy-2,4-dihydro-3H-1,2,4-triazol-3-one

HRID 310552Notes

Reaction equation

[Br:15][c:16]1[cH:17][cH:18][c:19]([F:24])[c:20]([CH2:21][Br:22])[cH:23]1.[C:9](=[O:10])([O-:11])[O-:12].[CH3:1][O:2][c:3]1[nH:4][c:5](=[O:8])[nH:6][n:7]1.[CH3:26][C:27]#[N:28].[K+:13].[K+:14].[OH2:25]>>[CH3:1][O:2][c:3]1[n:4]([CH2:21][c:20]2[c:19]([F:24])[cH:18][cH:17][c:16]([Br:15])[cH:23]2)[c:5](=[O:8])[nH:6][n:7]1

Participants

Reactant 6

HCID 813Potassium Cation2×

HCID 962Water

HCID 6342Acetonitrile

HCID 19660Carbonate Ion

HCID 135532954-Bromo-2-(bromomethyl)-1-fluorobenzene

HCID 1354997413H-1,2,4-Triazol-3-one, 1,2-dihydro-5-methoxy-

Product 1

HCID 183888114-(5-bromo-2-fluorobenzyl)-5-methoxy-2,4-dihydro-3H-1,2,4-triazol-3-one

Sources & evidence

ORD record: ord-2b30c8557ec0488eac1e37f5c6979bb4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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