Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Acetyl chloride | HCID 6367 | — |
| Reactant | Diisopropylamine | HCID 7912 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Methyl 3-phenylbutanoate | HCID 137945 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Product | Methyl 2-acetyl-3-phenylbutyrate | HCID 12561390 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-3312ae00a68e458fb3c3a453072d2cb9 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
