2,6-difluorobenzonitrile
Everything that changed this flow. Back to the flow
060f4e02-1121-4bb1-baaa-1242fa5aed18
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 | 1 | consensus_match | group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=1897-52-5; added Common Chemistry CAS names as altLabel: Benzonitrile, 2,6-difluoro-; object_uuid=fo-1f25b1c7a5db6a28 |
| cas_match_labels | 1 | consensus_match | group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1897-52-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1f25b1c7a5db6a28: {'1897-52-5': '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=['1897-52-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[74695, 263825]; selected_pubchem_cids=[74695]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,016 | bootstrap_labels | prefLabel | — | [{"@value":"2,6-difluorobenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 5,017 | bootstrap_labels | name | 2,6-difluorobenzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 5,018 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 30,360 | 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 |
| 30,361 | 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 |
| 215,015 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,003 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,004 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,005 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.952H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1897-52-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[74695, 263825]; selected_pubchem_cids=[74695]; 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 |
| 249,703 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | rdkit_pre_consensus from 'C1=CC(=C(C(=C1)F)C#N)F'; added: molecular_mass, monoisotopic_mass |
| 260,111 | consensus_match | altLabel | [] | [{"@value":"Benzonitrile, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=1897-52-5; added Common Chemistry CAS names as altLabel: Benzonitrile, 2,6-difluoro-; object_uuid=fo-1f25b1c7a5db6a28 |
| 260,112 | consensus_match | cas_match_labels | — | {"1897-52-5":"exactMatch"} | group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1897-52-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1f25b1c7a5db6a28: {'1897-52-5': 'exactMatch'} |
| 274,837 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,6-difluorobenzonitrile' |
| 281,308 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | rdkit_post_consensus from 'N#Cc1c(F)cccc1F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 296,217 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/060f4e02-1121-… | associations resolved on the elementary layer |
| 389,142 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3F2N"],… | typed the way the ontology types it |
| 396,175 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1122181958110000/5016 | prefLabel | ef:agent/bootstrap_labels | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v0 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v1 |
| ef:activity/change/20260821T1122181958110000/5017 | name | ef:agent/bootstrap_labels | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v1 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v2 |
| ef:activity/change/20260821T1122181958110000/5018 | synonyms | ef:agent/bootstrap_labels | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v2 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v3 |
| ef:activity/change/20260821T1122181958110000/30360 | context | ef:agent/default_context_mapping | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v3 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v4 |
| ef:activity/change/20260821T1122181958110000/30361 | context_iri | ef:agent/default_context_mapping | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v4 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v5 |
| ef:activity/change/20260821T1122181958110000/215015 | unit_iri | ef:agent/unit_normalization | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v5 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v6 |
| ef:activity/change/20260821T1122181958110000/232003 | properties | ef:agent/enrich_references | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v6 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v7 |
| ef:activity/change/20260821T1122181958110000/232004 | skos_definition | ef:agent/enrich_references | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v7 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v8 |
| ef:activity/change/20260821T1122181958110000/232005 | references | ef:agent/enrich_references | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v8 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v9 |
| ef:activity/change/20260821T1122181958110000/249703 | properties | ef:agent/rdkit_pre_consensus | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v9 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v10 |
| ef:activity/change/20260821T1122181958110000/260111 | altLabel | ef:agent/consensus_match | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v10 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v11 |
| ef:activity/change/20260821T1122181958110000/260112 | cas_match_labels | ef:agent/consensus_match | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v11 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v12 |
| ef:activity/change/20260821T1122181958110000/274837 | properties | ef:agent/opsin_iupac | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v12 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v13 |
| ef:activity/change/20260821T1122181958110000/281308 | properties | ef:agent/rdkit_post_consensus | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v13 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v14 |
| ef:activity/change/20260821T1122181958110000/296217 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v14 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v15 |
| ef:activity/change/20260821T1122181958110000/389142 | properties | ef:agent/normalise_property_values | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v15 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v16 |
| ef:activity/change/20260821T1122181958110000/396175 | types | ef:agent/link_flows_to_their_substance | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v16 | ef:flow/060f4e02-1121-4bb1-baaa-1242fa5aed18/v17 |