Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Nicotinic Acid | HCID 938 | — |
| Reactant | 17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta(A)Phenanthren-3-One | HCID 5408 | — |
| Reactant | Thionyl Chloride | HCID 24386 | — |
| Product | Nicotinate | HCID 937 | — |
| Product | 17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta(A)Phenanthren-3-One | HCID 5408 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-f62a5f3534344292964c1857274f6e16 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
