Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | Dichloromethane | HCID 6344 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | 2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one | HCID 57955574 | — |
| Reactant | 4-amino-N-[1-(2-fluoro-ethyl)-piperidin-4-yl]-3-methoxy-benzamide | HCID 58015144 | — |
| Product | HCID 44548920 | HCID 44548920 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-26f160e1456f426a9de50cd44afc3a0f |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
