Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 4-(4-Chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal | HCID 21948937 | — |
| Reactant | Methyl 5-aminoquinoline-2-carboxylate | HCID 45089604 | — |
| Product | HCID 69204021 | HCID 69204021 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
| ORD ID | ord-823e218f94354fd1ad850e1baaf9d603 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
