2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine
Everything that changed this flow. Back to the flow
b429807d-fe12-49ef-ad2f-20db94961872
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-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Ocean; cas=256473-05-9; added Common Chemistry CAS names as altLabel: 2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine, Pyridine, 2-[(1-methylethyl)thio]-3-(2,2,2-trifluoroethoxy)-; object_uuid=fo-7f54c22981d5b0db |
| cas_match_labels | 1 | consensus_match | group_key=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'256473-05-9': []}; assigned CAS labels from group consensus; object_uuid=fo-7f54c22981d5b0db: {'256473-05-9': '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 (long-term) |
| 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 (long-term) |
| 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=['256473-05-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[12992128, 165364825]; selected_pubchem_cids=[12992128]; 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 |
|---|---|---|---|---|---|
| 6,488 | bootstrap_labels | prefLabel | — | [{"@value":"2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 6,489 | bootstrap_labels | name | 2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine | — | Purged legacy name field to enforce prefLabel usage |
| 6,490 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 156,794 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 156,795 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,506 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,412 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,413 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,414 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=256473-05-9","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['256473-05-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[12992128, 165364825]; selected_pubchem_cids=[12992128]; 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 |
| 250,111 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | rdkit_pre_consensus from 'CC(C)SC1=C(C=CC=N1)OCC(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 260,352 | consensus_match | altLabel | [] | [{"@value":"2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine","@language":"en","source":{"prov:wasGeneratedBy"… | group_key=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Ocean; cas=256473-05-9; added Common Chemistry CAS names as altLabel: 2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine, Pyridine, 2-[(1-methylethyl)thio]-3-(2,2,2-trifluoroethoxy)-; object_uuid=fo-7f54c22981d5b0db |
| 260,353 | consensus_match | cas_match_labels | — | {"256473-05-9":"exactMatch"} | group_key=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'256473-05-9': []}; assigned CAS labels from group consensus; object_uuid=fo-7f54c22981d5b0db: {'256473-05-9': 'exactMatch'} |
| 275,249 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine' |
| 281,754 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | rdkit_post_consensus from 'CC(C)Sc1ncccc1OCC(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 359,422 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b429807d-fe12-… | associations resolved on the elementary layer |
| 389,553 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12F3NO… | typed the way the ontology types it |
| 396,754 | 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/20260821T1302361922970000/6488 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v0 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v1 |
| ef:activity/change/20260821T1302361922970000/6489 | name | ef:agent/bootstrap_labels | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v1 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v2 |
| ef:activity/change/20260821T1302361922970000/6490 | synonyms | ef:agent/bootstrap_labels | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v2 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v3 |
| ef:activity/change/20260821T1302361922970000/156794 | context | ef:agent/default_context_mapping | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v3 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v4 |
| ef:activity/change/20260821T1302361922970000/156795 | context_iri | ef:agent/default_context_mapping | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v4 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v5 |
| ef:activity/change/20260821T1302361922970000/215506 | unit_iri | ef:agent/unit_normalization | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v5 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v6 |
| ef:activity/change/20260821T1302361922970000/233412 | properties | ef:agent/enrich_references | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v6 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v7 |
| ef:activity/change/20260821T1302361922970000/233413 | skos_definition | ef:agent/enrich_references | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v7 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v8 |
| ef:activity/change/20260821T1302361922970000/233414 | references | ef:agent/enrich_references | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v8 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v9 |
| ef:activity/change/20260821T1302361922970000/250111 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v9 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v10 |
| ef:activity/change/20260821T1302361922970000/260352 | altLabel | ef:agent/consensus_match | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v10 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v11 |
| ef:activity/change/20260821T1302361922970000/260353 | cas_match_labels | ef:agent/consensus_match | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v11 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v12 |
| ef:activity/change/20260821T1302361922970000/275249 | properties | ef:agent/opsin_iupac | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v12 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v13 |
| ef:activity/change/20260821T1302361922970000/281754 | properties | ef:agent/rdkit_post_consensus | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v13 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v14 |
| ef:activity/change/20260821T1302361922970000/359422 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v14 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v15 |
| ef:activity/change/20260821T1302361922970000/389553 | properties | ef:agent/normalise_property_values | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v15 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v16 |
| ef:activity/change/20260821T1302361922970000/396754 | types | ef:agent/link_flows_to_their_substance | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v16 | ef:flow/b429807d-fe12-49ef-ad2f-20db94961872/v17 |