Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | 3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride) | HCID 2734660 | — |
| Reactant | 5-Amino-3-cyano-4-iodo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole | HCID 15462077 | — |
| Reactant | HCID 178420554 | HCID 178420554 | — |
| Product | HCID 15462081 | HCID 15462081 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-c546ba9eaf1f4a189bc2de21f1623664 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
