Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | 3,5-Dimethoxybenzaldehyde | HCID 81747 | — |
| Reactant | 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine | HCID 2776394 | — |
| Product | HCID 69203973 | HCID 69203973 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-e6c0576431454ede88517ec647c4ecc1 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
