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 | 2-(Trifluoromethyl)benzeneboronic acid | HCID 2734387 | — |
| Reactant | 5-Amino-3-cyano-4-iodo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole | HCID 15462077 | — |
| Reactant | HCID 178420554 | HCID 178420554 | — |
| Product | HCID 9869084 | HCID 9869084 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
| ORD ID | ord-87043107ae21411b891930bf584e5779 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
