Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | 2-Amino-1-(4-nitrophenyl)-1,3-propanediol | HCID 92743 | — |
| Reactant | 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid | HCID 4129546 | — |
| Product | 2-Amino-1-phenyl-1,3-propanediol | HCID 102971 | — |
| Product | 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid | HCID 4129546 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-bc3d2fddce0c426eb9f03488eb970a39 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
