Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Heptane | HCID 8900 | — |
| Reactant | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Reactant | m-Fluorobenzenethiol | HCID 75710 | — |
| Reactant | 6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-one | HCID 14915116 | — |
| Product | HCID 59378874 | HCID 59378874 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-e7533f3513c7498083b5c2708a7f0d2f |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
