Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Toluene | HCID 1140 | — |
| Reactant | 1-Methylpiperazine | HCID 53167 | — |
| Reactant | Butenedioate | HCID 164547 | — |
| Reactant | 10-Chloro-thieno[3,4-b][1,5]benzothiazepine | HCID 21315979 | — |
| Product | 2-Butenedioic acid | HCID 723 | — |
| Product | 4-(4-Methylpiperazin-1-yl)thieno[3,4-b][1,5]benzothiazepine | HCID 12703433 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-418f447b80bc46d981d071bda27ce5ea |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
