Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | 1H-Pyrrolo(2,3-b)pyridine | HCID 9222 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | Cesium cation | HCID 104967 | — |
| Reactant | (4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate | HCID 86670324 | — |
| Product | HCID 66584034 | HCID 66584034 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
| ORD ID | ord-a351310547bd4b69a1173013c7073b22 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
