Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)- | HCID 18462 | — |
| Reactant | 3-Ethyl-9-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-6-ylamine | HCID 67264181 | — |
| Reactant | N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-cyclohexyl]-methanesulfonamide | HCID 86633859 | — |
| Product | HCID 178462499 | HCID 178462499 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-3bb6d3287d324f2eb328cb29852b8a82 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
