2-chloro-3-(2,2,2-trifluoroethoxy)pyridine
Everything that changed this flow. Back to the flow
45d8ce55-cacf-40c6-b055-246dccf5d531
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-chloro-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Surface water; cas=256473-04-8; added Common Chemistry CAS names as altLabel: Pyridine, 2-chloro-3-(2,2,2-trifluoroethoxy)-; object_uuid=fo-6c53522db86153d1 |
| cas_match_labels | 1 | consensus_match | group_key=2-chloro-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'256473-04-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6c53522db86153d1: {'256473-04-8': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['256473-04-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[12056728]; selected_pubchem_cids=[12056728]; 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 |
|---|---|---|---|---|---|
| 19,014 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-3-(2,2,2-trifluoroethoxy)pyridine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 19,015 | bootstrap_labels | name | 2-chloro-3-(2,2,2-trifluoroethoxy)pyridine | — | Purged legacy name field to enforce prefLabel usage |
| 19,016 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 82,888 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 82,889 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 219,540 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,889 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,890 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,891 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.223.441","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['256473-04-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[12056728]; selected_pubchem_cids=[12056728]; 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 |
| 253,419 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | rdkit_pre_consensus from 'C1=CC(=C(N=C1)Cl)OCC(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 260,638 | consensus_match | altLabel | [] | [{"@value":"Pyridine, 2-chloro-3-(2,2,2-trifluoroethoxy)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=2-chloro-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Surface water; cas=256473-04-8; added Common Chemistry CAS names as altLabel: Pyridine, 2-chloro-3-(2,2,2-trifluoroethoxy)-; object_uuid=fo-6c53522db86153d1 |
| 260,639 | consensus_match | cas_match_labels | — | {"256473-04-8":"exactMatch"} | group_key=2-chloro-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'256473-04-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6c53522db86153d1: {'256473-04-8': 'exactMatch'} |
| 278,627 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-3-(2,2,2-trifluoroethoxy)pyridine' |
| 285,403 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | rdkit_post_consensus from 'FC(F)(F)COc1cccnc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 322,451 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/45d8ce55-cacf-… | associations resolved on the elementary layer |
| 392,988 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5ClF3NO… | typed the way the ontology types it |
| 401,728 | 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/20260821T0609040591070000/19014 | prefLabel | ef:agent/bootstrap_labels | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v0 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v1 |
| ef:activity/change/20260821T0609040591070000/19015 | name | ef:agent/bootstrap_labels | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v1 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v2 |
| ef:activity/change/20260821T0609040591070000/19016 | synonyms | ef:agent/bootstrap_labels | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v2 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v3 |
| ef:activity/change/20260821T0609040591070000/82888 | context | ef:agent/default_context_mapping | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v3 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v4 |
| ef:activity/change/20260821T0609040591070000/82889 | context_iri | ef:agent/default_context_mapping | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v4 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v5 |
| ef:activity/change/20260821T0609040591070000/219540 | unit_iri | ef:agent/unit_normalization | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v5 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v6 |
| ef:activity/change/20260821T0609040591070000/244889 | properties | ef:agent/enrich_references | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v6 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v7 |
| ef:activity/change/20260821T0609040591070000/244890 | skos_definition | ef:agent/enrich_references | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v7 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v8 |
| ef:activity/change/20260821T0609040591070000/244891 | references | ef:agent/enrich_references | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v8 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v9 |
| ef:activity/change/20260821T0609040591070000/253419 | properties | ef:agent/rdkit_pre_consensus | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v9 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v10 |
| ef:activity/change/20260821T0609040591070000/260638 | altLabel | ef:agent/consensus_match | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v10 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v11 |
| ef:activity/change/20260821T0609040591070000/260639 | cas_match_labels | ef:agent/consensus_match | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v11 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v12 |
| ef:activity/change/20260821T0609040591070000/278627 | properties | ef:agent/opsin_iupac | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v12 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v13 |
| ef:activity/change/20260821T0609040591070000/285403 | properties | ef:agent/rdkit_post_consensus | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v13 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v14 |
| ef:activity/change/20260821T0609040591070000/322451 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v14 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v15 |
| ef:activity/change/20260821T0609040591070000/392988 | properties | ef:agent/normalise_property_values | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v15 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v16 |
| ef:activity/change/20260821T0609040591070000/401728 | types | ef:agent/link_flows_to_their_substance | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v16 | ef:flow/45d8ce55-cacf-40c6-b055-246dccf5d531/v17 |