Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Hydroxide | HCID 961 | — |
| Reactant | Tetrabutylammonium | HCID 16028 | — |
| Reactant | Iodide Ion | HCID 30165 | — |
| Reactant | Chloromethyl acetate | HCID 69366 | — |
| Reactant | 3alpha-Hydroxy-11-ketoetiocholanic acid | HCID 4179399 | — |
| Product | HCID 178476667 | HCID 178476667 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-3cebfbb3e0d5456ebbdd123beb5f6ca2 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
