Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | 2,4-Dichlorophenylboric acid | HCID 21984477 | — |
| Reactant | 8-Bromo-2-methyl-4-(4-carbamoyl-1,2,3,6-tetrahydropyridin-1-yl)quinoline | HCID 22574427 | — |
| Reactant | HCID 178420554 | HCID 178420554 | — |
| Product | CRA-0450 free base | HCID 9829517 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-93f2b4b062b04a758b8bcaf5cc084ba4 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
