Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | 1-Methylpiperazine | HCID 53167 | — |
| Reactant | Butenedioate | HCID 164547 | — |
| Reactant | 1-Chloromethyl-5,8-dimethoxyisochroman | HCID 12828439 | — |
| Product | 2-Butenedioic acid | HCID 723 | — |
| Product | 1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine | HCID 12828486 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-320c4d5c6f684f9083bbe0c21dbf19bd |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
