Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | 4-(Dimethylamino)pyridine | HCID 14284 | — |
| Reactant | 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide | HCID 15908 | — |
| Reactant | Thiourea | HCID 2723790 | — |
| Reactant | Allitinib metabolite M6 | HCID 53630477 | — |
| Reactant | 3-(2,2,2-Trifluoro-ethylamino)-propane-1,2-diol | HCID 60632717 | — |
| Product | HCID 57590616 | HCID 57590616 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
| ORD ID | ord-dc316f3cbe9d4dd685475e4a4d7cb718 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
