Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | Zinc | HCID 23994 | — |
| Reactant | 3,4-Dihydro-4-oxo-2H-1-benzopyran-7-yl 1,1,1-trifluoromethanesulfonate | HCID 10357186 | — |
| Reactant | HCID 178511842 | HCID 178511842 | — |
| Product | 6-Cyano-4-chromanone | HCID 22349973 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-a08304b1b03d4a549f9b996b6ca7e872 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
