Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Dichloromethane | HCID 6344 | — |
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | N-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazole-1-carboxamide | HCID 21978278 | — |
| Reactant | 3-[2-[(4-aminocyclohexyl)amino]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-methylpyrazol-1-yl)cyclopentane-1,2-diol | HCID 178430936 | — |
| Product | Trifluoroacetic acid | HCID 6422 | — |
| Product | 1-[4-[[9-[2,3-dihydroxy-4-(4-methylpyrazol-1-yl)cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]amino]cyclohexyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea | HCID 178430937 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
| ORD ID | ord-745680c98489469ea7536deaea4f909a |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
