4-chlorobenzonitrile
Everything that changed this flow. Back to the flow
c2151f96-f201-4ef0-a035-d985276b4ed5
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 6111' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-chlorobenzonitrile||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-03-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc4ee40b90f2928e: {'623-03-0': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['623-03-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_194693']; candidate_pubchem_cids=[12163]; selected_pubchem_cids=[12163]; 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 |
|---|---|---|---|---|---|
| 13,373 | bootstrap_labels | prefLabel | — | [{"@value":"4-chlorobenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 13,374 | bootstrap_labels | name | 4-chlorobenzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 13,375 | bootstrap_labels | synonyms | ["4-Cyanochlorobenzene","4-chloro benzonitrile","AB1002945","AC1L1YZI","AKOS000304421","Benzonitrile, 4-chloro-","Benzo… | [] | Removed legacy synonyms field in favor of structured labels |
| 164,728 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 164,729 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 217,759 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,855 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,856 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,857 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.015H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['623-03-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_194693']; candidate_pubchem_cids=[12163]; selected_pubchem_cids=[12163]; 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 |
| 251,963 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | rdkit_pre_consensus from 'C1=CC(=CC=C1C#N)Cl'; added: monoisotopic_mass |
| 262,662 | consensus_match | altLabel | [] | [{"@value":"1-Chloro-4-benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=4-chlorobenzonitrile||dimension=Environmental > media=Air > strata=Unknown; cas=623-03-0; added Common Chemistry CAS names as altLabel: 1-Chloro-4-benzonitrile, 1-Chloro-4-cyanobenzene, 1-Cyano-4-chlorobenzene, 4-Chlorobenzenitrile, 4-Chlorobenzonitril, 4-Chlorocyanobenzene, 4-Chlorophenyl cyanide, 4-Cyanochlorobenzene, 4-Cyanophenyl chloride, <em>p</em>-Chlorobenzonitrile, <em>p</em>-Chlorocyanobenzene, <em>p</em>-Cyanochlorobenzene, Benzonitrile, 4-chloro-, Benzonitrile, <em>p</em>-chloro-, NSC 6111; object_uuid=fo-cc4ee40b90f2928e |
| 262,663 | consensus_match | cas_match_labels | — | {"623-03-0":"exactMatch"} | group_key=4-chlorobenzonitrile||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-03-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cc4ee40b90f2928e: {'623-03-0': 'exactMatch'} |
| 277,159 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-chlorobenzonitrile' |
| 283,820 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | rdkit_post_consensus from 'N#Cc1ccc(Cl)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,003 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Chloro-4-benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"1-Chloro-4-benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 6111' (registry code) |
| 363,390 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c2151f96-f201-… | associations resolved on the elementary layer |
| 391,507 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClN"],… | typed the way the ontology types it |
| 399,571 | 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/20260821T1554374006150000/13373 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v0 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v1 |
| ef:activity/change/20260821T1554374006150000/13374 | name | ef:agent/bootstrap_labels | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v1 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v2 |
| ef:activity/change/20260821T1554374006150000/13375 | synonyms | ef:agent/bootstrap_labels | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v2 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v3 |
| ef:activity/change/20260821T1554374006150000/164728 | context | ef:agent/default_context_mapping | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v3 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v4 |
| ef:activity/change/20260821T1554374006150000/164729 | context_iri | ef:agent/default_context_mapping | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v4 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v5 |
| ef:activity/change/20260821T1554374006150000/217759 | unit_iri | ef:agent/unit_normalization | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v5 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v6 |
| ef:activity/change/20260821T1554374006150000/239855 | properties | ef:agent/enrich_references | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v6 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v7 |
| ef:activity/change/20260821T1554374006150000/239856 | skos_definition | ef:agent/enrich_references | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v7 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v8 |
| ef:activity/change/20260821T1554374006150000/239857 | references | ef:agent/enrich_references | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v8 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v9 |
| ef:activity/change/20260821T1554374006150000/251963 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v9 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v10 |
| ef:activity/change/20260821T1554374006150000/262662 | altLabel | ef:agent/consensus_match | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v10 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v11 |
| ef:activity/change/20260821T1554374006150000/262663 | cas_match_labels | ef:agent/consensus_match | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v11 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v12 |
| ef:activity/change/20260821T1554374006150000/277159 | properties | ef:agent/opsin_iupac | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v12 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v13 |
| ef:activity/change/20260821T1554374006150000/283820 | properties | ef:agent/rdkit_post_consensus | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v13 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v14 |
| ef:activity/change/20260821T1554374006150000/290003 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v14 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v15 |
| ef:activity/change/20260821T1554374006150000/363390 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v15 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v16 |
| ef:activity/change/20260821T1554374006150000/391507 | properties | ef:agent/normalise_property_values | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v16 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v17 |
| ef:activity/change/20260821T1554374006150000/399571 | types | ef:agent/link_flows_to_their_substance | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v17 | ef:flow/c2151f96-f201-4ef0-a035-d985276b4ed5/v18 |