Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | 1,2-Dimethoxyethane | HCID 8071 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 4-Bromo-2-fluoro-benzoic acid methyl ester | HCID 11345311 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Product | Methyl 4-cyano-2-fluorobenzoate | HCID 15278726 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-f5e15aac4c4647f183334714e3b3a7c2 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
