Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Diethyl Ether | HCID 3283 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)- | HCID 18462 | — |
| Reactant | Phenylacetyl isothiocyanate | HCID 12454157 | — |
| Reactant | 4-(4-Amino-2-fluorophenoxy)-6-{[4-(1-methylpiperazin-4-yl)piperidin-1-yl]carbonylamino}pyrimidine | HCID 23153158 | — |
| Product | HCID 57677399 | HCID 57677399 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-c9065807d5f6408cbc2f1beb437e3783 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
