4-tert-butylbenzonitrile
Everything that changed this flow. Back to the flow
f778579f-da47-4f32-834f-bd6c51519cdd
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4210-32-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3efceb62547bafa6: {'4210-32-6': '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=['4210-32-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[77883, 216186]; selected_pubchem_cids=[77883]; 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 |
|---|---|---|---|---|---|
| 9,918 | bootstrap_labels | prefLabel | — | [{"@value":"4-tert-butylbenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 9,919 | bootstrap_labels | name | 4-tert-butylbenzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 9,920 | bootstrap_labels | synonyms | ["organic","4-tert-butylbenzonitrile"] | [] | Removed legacy synonyms field in favor of structured labels |
| 198,440 | 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 |
| 198,441 | 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 |
| 216,634 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,652 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,653 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,654 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.000D","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['4210-32-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[77883, 216186]; selected_pubchem_cids=[77883]; 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 |
| 251,041 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | rdkit_pre_consensus from 'CC(C)(C)C1=CC=C(C=C1)C#N'; added: molecular_mass, monoisotopic_mass |
| 262,936 | consensus_match | altLabel | [] | [{"@value":"1-Cyano-4-(<em>tert</em>-butyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=4210-32-6; added Common Chemistry CAS names as altLabel: 1-Cyano-4-(<em>tert</em>-butyl)benzene, 4-(1,1-Dimethylethyl)benzonitrile, <em>p</em>-<em>tert</em>-Butylbenzonitrile, Benzonitrile, 4-(1,1-dimethylethyl)-, Benzonitrile, <em>p</em>-<em>tert</em>-butyl-; object_uuid=fo-3efceb62547bafa6 |
| 262,937 | consensus_match | cas_match_labels | — | {"4210-32-6":"exactMatch"} | group_key=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4210-32-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3efceb62547bafa6: {'4210-32-6': 'exactMatch'} |
| 276,227 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-tert-butylbenzonitrile' |
| 282,812 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | rdkit_post_consensus from 'CC(C)(C)c1ccc(C#N)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,475 | dedupe_altlabels | altLabel | [{"@value":"1-Cyano-4-(<em>tert</em>-butyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"1-Cyano-4-(tert-butyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Deduplicated altLabel values and removed entries matching prefLabel |
| 380,254 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f778579f-da47-… | associations resolved on the elementary layer |
| 390,573 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13N"],… | typed the way the ontology types it |
| 398,237 | 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/20260821T1302361922970000/9918 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v0 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v1 |
| ef:activity/change/20260821T1302361922970000/9919 | name | ef:agent/bootstrap_labels | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v1 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v2 |
| ef:activity/change/20260821T1302361922970000/9920 | synonyms | ef:agent/bootstrap_labels | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v2 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v3 |
| ef:activity/change/20260821T1302361922970000/198440 | context | ef:agent/default_context_mapping | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v3 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v4 |
| ef:activity/change/20260821T1302361922970000/198441 | context_iri | ef:agent/default_context_mapping | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v4 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v5 |
| ef:activity/change/20260821T1302361922970000/216634 | unit_iri | ef:agent/unit_normalization | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v5 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v6 |
| ef:activity/change/20260821T1302361922970000/236652 | properties | ef:agent/enrich_references | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v6 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v7 |
| ef:activity/change/20260821T1302361922970000/236653 | skos_definition | ef:agent/enrich_references | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v7 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v8 |
| ef:activity/change/20260821T1302361922970000/236654 | references | ef:agent/enrich_references | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v8 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v9 |
| ef:activity/change/20260821T1302361922970000/251041 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v9 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v10 |
| ef:activity/change/20260821T1302361922970000/262936 | altLabel | ef:agent/consensus_match | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v10 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v11 |
| ef:activity/change/20260821T1302361922970000/262937 | cas_match_labels | ef:agent/consensus_match | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v11 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v12 |
| ef:activity/change/20260821T1302361922970000/276227 | properties | ef:agent/opsin_iupac | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v12 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v13 |
| ef:activity/change/20260821T1302361922970000/282812 | properties | ef:agent/rdkit_post_consensus | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v13 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v14 |
| ef:activity/change/20260821T1302361922970000/292475 | altLabel | ef:agent/dedupe_altlabels | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v14 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v15 |
| ef:activity/change/20260821T1302361922970000/380254 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v15 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v16 |
| ef:activity/change/20260821T1302361922970000/390573 | properties | ef:agent/normalise_property_values | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v16 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v17 |
| ef:activity/change/20260821T1302361922970000/398237 | types | ef:agent/link_flows_to_their_substance | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v17 | ef:flow/f778579f-da47-4f32-834f-bd6c51519cdd/v18 |