Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | 4-(4-Methylpiperazin-1-yl)aniline | HCID 737253 | — |
| Reactant | (4-amino-2-ethanesulfonyl-pyrimidin-5-yl)-(3-fluoro-phenyl)-methanone | HCID 11974951 | — |
| Product | HCID 11975201 | HCID 11975201 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-99cc0638d6b845cfb12bb1eaf809b689 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
