Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonia | HCID 222 | — |
| Reactant | Chloride | HCID 312 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Anisole | HCID 7519 | — |
| Reactant | 1-Methylpiperazine | HCID 53167 | — |
| Reactant | Titanium cation (4+) | HCID 114942 | — |
| Reactant | HCID 14590611 | HCID 14590611 | — |
| Product | HCID 12888759 | HCID 12888759 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
| ORD ID | ord-01ccc9f058e54668ba28f0b1fd96d4d6 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
