4-nitrobenzonitrile
Everything that changed this flow. Back to the flow
3b614762-e679-4d63-b8dd-c49eadce15c0
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5383' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-nitrobenzonitrile||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'619-72-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1ad5888cea6c369: {'619-72-7': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['619-72-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[12090]; selected_pubchem_cids=[12090]; 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 |
|---|---|---|---|---|---|
| 6,566 | bootstrap_labels | prefLabel | — | [{"@value":"4-nitrobenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 6,567 | bootstrap_labels | name | 4-nitrobenzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 6,568 | bootstrap_labels | synonyms | ["4-Cyanonitrobenzene","AC-2480","AC1L1YTO","AKOS000119952","Benzonitrile, 4-nitro-","Benzonitrile, p-nitro-","N0172","… | [] | Removed legacy synonyms field in favor of structured labels |
| 75,882 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 75,883 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 215,532 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,481 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,482 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,483 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.813J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['619-72-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[12090]; selected_pubchem_cids=[12090]; 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 |
| 250,131 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | rdkit_pre_consensus from 'C1=CC(=CC=C1C#N)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,889 | consensus_match | altLabel | [] | [{"@value":"1-Cyano-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | group_key=4-nitrobenzonitrile||dimension=Environmental > media=Water > water_body=Long-term; cas=619-72-7; added Common Chemistry CAS names as altLabel: 1-Cyano-4-nitrobenzene, 4-Cyano-1-nitrobenzene, 4-Cyanonitrobenzene, 4-Nitrobenzenenitrile, <em>p</em>-Cyanonitrobenzene, <em>p</em>-Nitrobenzonitrile, Benzonitrile, 4-nitro-, Benzonitrile, <em>p</em>-nitro-, NSC 5383; object_uuid=fo-b1ad5888cea6c369 |
| 262,890 | consensus_match | cas_match_labels | — | {"619-72-7":"exactMatch"} | group_key=4-nitrobenzonitrile||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'619-72-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1ad5888cea6c369: {'619-72-7': 'exactMatch'} |
| 275,269 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-nitrobenzonitrile' |
| 281,775 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | rdkit_post_consensus from 'N#Cc1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,593 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Cyano-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | [{"@value":"1-Cyano-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 5383' (registry code) |
| 318,956 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b614762-e679-… | associations resolved on the elementary layer |
| 389,571 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4N2O2"]… | typed the way the ontology types it |
| 396,781 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/6566 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v0 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v1 |
| ef:activity/change/20260821T1554374006150000/6567 | name | ef:agent/bootstrap_labels | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v1 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v2 |
| ef:activity/change/20260821T1554374006150000/6568 | synonyms | ef:agent/bootstrap_labels | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v2 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v3 |
| ef:activity/change/20260821T1554374006150000/75882 | context | ef:agent/default_context_mapping | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v3 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v4 |
| ef:activity/change/20260821T1554374006150000/75883 | context_iri | ef:agent/default_context_mapping | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v4 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v5 |
| ef:activity/change/20260821T1554374006150000/215532 | unit_iri | ef:agent/unit_normalization | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v5 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v6 |
| ef:activity/change/20260821T1554374006150000/233481 | properties | ef:agent/enrich_references | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v6 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v7 |
| ef:activity/change/20260821T1554374006150000/233482 | skos_definition | ef:agent/enrich_references | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v7 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v8 |
| ef:activity/change/20260821T1554374006150000/233483 | references | ef:agent/enrich_references | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v8 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v9 |
| ef:activity/change/20260821T1554374006150000/250131 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v9 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v10 |
| ef:activity/change/20260821T1554374006150000/262889 | altLabel | ef:agent/consensus_match | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v10 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v11 |
| ef:activity/change/20260821T1554374006150000/262890 | cas_match_labels | ef:agent/consensus_match | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v11 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v12 |
| ef:activity/change/20260821T1554374006150000/275269 | properties | ef:agent/opsin_iupac | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v12 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v13 |
| ef:activity/change/20260821T1554374006150000/281775 | properties | ef:agent/rdkit_post_consensus | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v13 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v14 |
| ef:activity/change/20260821T1554374006150000/288593 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v14 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v15 |
| ef:activity/change/20260821T1554374006150000/318956 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v15 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v16 |
| ef:activity/change/20260821T1554374006150000/389571 | properties | ef:agent/normalise_property_values | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v16 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v17 |
| ef:activity/change/20260821T1554374006150000/396781 | types | ef:agent/link_flows_to_their_substance | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v17 | ef:flow/3b614762-e679-4d63-b8dd-c49eadce15c0/v18 |