1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride
Everything that changed this flow. Back to the flow
f3893594-585c-41da-8d26-79300eaead26
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-iumchloride||dimension=Environmental > media=Ground > geography=Agricultural; cas=52605-52-4; added Common Chemistry CAS names as altLabel: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride, 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1), Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, hydrochloride (1:1), Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, monohydrochloride; object_uuid=fo-a718098442604910 |
| cas_match_labels | 1 | consensus_match | group_key=1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-iumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'52605-52-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a718098442604910: {'52605-52-4': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['52605-52-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11781, 101444, 3016761, 13035120, 53420179]; selected_pubchem_cids=[3016761, 13035120]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,175 | bootstrap_labels | prefLabel | — | [{"@value":"1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 21,176 | bootstrap_labels | name | 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 21,177 | bootstrap_labels | synonyms | ["organic","1-(3-chlorophenyl)-4-(3-chloropropyl)piperaziniumchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 196,202 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 196,203 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 220,151 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,885 | normalize_name_case | prefLabel | [{"@value":"1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride","@language":"en","source":{"prov:wasGenerate… | [{"@value":"1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride","@language":"en","source":{"prov:wasGenerate… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,610 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 246,611 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,612 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.052.744","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['52605-52-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11781, 101444, 3016761, 13035120, 53420179]; selected_pubchem_cids=[3016761, 13035120]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,928 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | rdkit_pre_consensus from 'C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl'; added: molecular_mass, monoisotopic_mass |
| 258,836 | consensus_match | altLabel | [] | [{"@value":"1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride","@language":"en","source":{"prov:wasGenerate… | group_key=1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-iumchloride||dimension=Environmental > media=Ground > geography=Agricultural; cas=52605-52-4; added Common Chemistry CAS names as altLabel: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride, 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1), Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, hydrochloride (1:1), Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, monohydrochloride; object_uuid=fo-a718098442604910 |
| 258,837 | consensus_match | cas_match_labels | — | {"52605-52-4":"exactMatch"} | group_key=1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-iumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'52605-52-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a718098442604910: {'52605-52-4': 'exactMatch'} |
| 279,111 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride' |
| 285,961 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | rdkit_post_consensus from 'ClCCCN1CC[NH+](c2cccc(Cl)c2)CC1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 379,127 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f3893594-585c-… | associations resolved on the elementary layer |
| 393,499 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19Cl3N… | typed the way the ontology types it |
| 402,505 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T1812399309960000/21175 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v0 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v1 |
| ef:activity/change/20260820T1812399309960000/21176 | name | ef:agent/bootstrap_labels | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v1 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v2 |
| ef:activity/change/20260820T1812399309960000/21177 | synonyms | ef:agent/bootstrap_labels | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v2 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v3 |
| ef:activity/change/20260820T1812399309960000/196202 | context | ef:agent/default_context_mapping | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v3 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v4 |
| ef:activity/change/20260820T1812399309960000/196203 | context_iri | ef:agent/default_context_mapping | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v4 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v5 |
| ef:activity/change/20260820T1812399309960000/220151 | unit_iri | ef:agent/unit_normalization | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v5 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v6 |
| ef:activity/change/20260820T1812399309960000/225885 | prefLabel | ef:agent/normalize_name_case | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v6 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v7 |
| ef:activity/change/20260820T1812399309960000/246610 | properties | ef:agent/enrich_references | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v7 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v8 |
| ef:activity/change/20260820T1812399309960000/246611 | skos_definition | ef:agent/enrich_references | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v8 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v9 |
| ef:activity/change/20260820T1812399309960000/246612 | references | ef:agent/enrich_references | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v9 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v10 |
| ef:activity/change/20260820T1812399309960000/253928 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v10 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v11 |
| ef:activity/change/20260820T1812399309960000/258836 | altLabel | ef:agent/consensus_match | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v11 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v12 |
| ef:activity/change/20260820T1812399309960000/258837 | cas_match_labels | ef:agent/consensus_match | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v12 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v13 |
| ef:activity/change/20260820T1812399309960000/279111 | properties | ef:agent/opsin_iupac | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v13 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v14 |
| ef:activity/change/20260820T1812399309960000/285961 | properties | ef:agent/rdkit_post_consensus | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v14 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v15 |
| ef:activity/change/20260820T1812399309960000/379127 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v15 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v16 |
| ef:activity/change/20260820T1812399309960000/393499 | properties | ef:agent/normalise_property_values | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v16 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v17 |
| ef:activity/change/20260820T1812399309960000/402505 | types | ef:agent/link_flows_to_their_substance | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v17 | ef:flow/f3893594-585c-41da-8d26-79300eaead26/v18 |