Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Ammonia | HCID 222 | — |
| Reactant | Benzoic Acid | HCID 243 | — |
| Reactant | 2-Butenedioic acid | HCID 723 | — |
| Reactant | Methanol | HCID 887 | — |
| Reactant | Benzoic anhydride | HCID 7167 | — |
| Reactant | Hexamethylphosphoramide | HCID 12679 | — |
| Reactant | 1-(tert-Butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol | HCID 152662 | — |
| Reactant | Hydrogen butenedioate | HCID 4677796 | — |
| Product | Bopindolol | HCID 44112 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-fb9e42e2fffe4141889a29ffd69f92f9 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
