HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1204065Generated: November 1, 2026
Acetonitrile → 4-{5-(3,3-dimethyl-1-butynyl)-2-methylbenzyl}-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
https://huagongshe.com/reaction/1204065
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | 3,3-Dimethyl-1-butyne | HCID 13512 | — |
| Reactant | Palladium Chloride | HCID 24290 | — |
| Reactant | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| Reactant | 4-(5-bromo-2-methylbenzyl)-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | HCID 12056518 | — |
| Product | 4-{5-(3,3-dimethyl-1-butynyl)-2-methylbenzyl}-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | HCID 18388857 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
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| ORD ID | ord-3e33a0390c004fd380eeedf829553795 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
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