Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Acrolein | HCID 7847 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | 1,8-Diazabicyclo(5.4.0)undec-7-ene | HCID 81184 | — |
| Reactant | [3,5-Bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone | HCID 18703556 | — |
| Product | HCID 178424596 | HCID 178424596 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-56e085dbcf3749a7b5c7a1959a5bea66 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
