Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | 2-Methylbenzenesulfonic acid | HCID 6925 | — |
| Reactant | 4-amino-N-[3-(dimethylamino)propyl]benzamide | HCID 428213 | — |
| Reactant | 2-Chloro-9-cyclohexyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one | HCID 57955554 | — |
| Product | HCID 58015109 | HCID 58015109 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
| ORD ID | ord-24c285aee5a246449b9a30f111ae73d8 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
