Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Heptane | HCID 8900 | — |
| Reactant | 2-Hexanone | HCID 11583 | — |
| Reactant | Hydride | HCID 166653 | — |
| Reactant | CID 21226545 | HCID 21226545 | — |
| Product | Ethyl 3-oxoheptanoate | HCID 559036 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-85ef26fe8f6e4ba2bee9365276e342fe |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
