Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Benzene | HCID 241 | — |
| Reactant | Octanoic Acid | HCID 379 | — |
| Reactant | Hydroxide | HCID 961 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | 3-[4-(8-Methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propan-1-ol | HCID 207296 | — |
| Product | HCID 21505582 | HCID 21505582 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-c1f3ec21290547a99c5fef4fc43ed202 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
