Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Titanium cation (4+) | HCID 114942 | — |
| Reactant | 2-Methylpropan-2-olate | HCID 4574913 | — |
| Reactant | 5-Amino-1,2-dihydroquinolin-2-one | HCID 15719078 | — |
| Reactant | 4-(3-Chloro-4-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal | HCID 86615336 | — |
| Product | HCID 178447125 | HCID 178447125 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
| ORD ID | ord-28832988cce74811aab5a1f7174abd97 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
