1-isocyanato-3-(trifluoromethyl)benzene
Everything that changed this flow. Back to the flow
4227d08e-2e7b-4d18-8b7a-f69779e15ce5
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=1-isocyanato-3-(trifluoromethyl)benzene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'329-01-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0933cf5ae5c28a4: {'329-01-1': '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=['329-01-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[9483]; selected_pubchem_cids=[9483]; 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 |
|---|---|---|---|---|---|
| 18,087 | bootstrap_labels | prefLabel | — | [{"@value":"1-isocyanato-3-(trifluoromethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 18,088 | bootstrap_labels | name | 1-isocyanato-3-(trifluoromethyl)benzene | — | Purged legacy name field to enforce prefLabel usage |
| 18,089 | bootstrap_labels | synonyms | ["organic","î±,î±,î±-trifluoro-3-tolylisocyanate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 80,736 | 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 |
| 80,737 | 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 |
| 219,259 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,113 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,114 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,115 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29I","provenance":{"prov:wasGeneratedBy":"enrich_references.p… | Added references with provenance; cas_numbers=['329-01-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[9483]; selected_pubchem_cids=[9483]; 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 |
| 253,196 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)N=C=O)C(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 259,182 | consensus_match | altLabel | [] | [{"@value":"1-(Trifluoromethyl)-3-[isocyanato]benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=1-isocyanato-3-(trifluoromethyl)benzene||dimension=Environmental > media=Water > water_body=Surface water; cas=329-01-1; added Common Chemistry CAS names as altLabel: 1-(Trifluoromethyl)-3-[isocyanato]benzene, 3-(Trifluoromethyl)phenyl isocyanate, <em>m</em>-(Trifluoromethyl)phenyl isocyanate, Benzene, 1-isocyanato-3-(trifluoromethyl)-, Isocyanic acid, α,α,α-trifluoro-<em>m</em>-tolyl ester, α,α,α-Trifluoro-3-tolyl isocyanate, α,α,α-Trifluoro-<em>m</em>-tolyl isocyanate; object_uuid=fo-b0933cf5ae5c28a4 |
| 259,183 | consensus_match | cas_match_labels | — | {"329-01-1":"exactMatch"} | group_key=1-isocyanato-3-(trifluoromethyl)benzene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'329-01-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0933cf5ae5c28a4: {'329-01-1': 'exactMatch'} |
| 278,401 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-isocyanato-3-(trifluoromethyl)benzene' |
| 285,159 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | rdkit_post_consensus from 'O=C=Nc1cccc(C(F)(F)F)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,970 | dedupe_altlabels | altLabel | [{"@value":"1-(Trifluoromethyl)-3-[isocyanato]benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | [{"@value":"1-(Trifluoromethyl)-3-[isocyanato]benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Deduplicated altLabel values and removed entries matching prefLabel |
| 321,374 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4227d08e-2e7b-… | associations resolved on the elementary layer |
| 392,762 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4F3NO"]… | typed the way the ontology types it |
| 401,386 | 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/20260820T1812399309960000/18087 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v0 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v1 |
| ef:activity/change/20260820T1812399309960000/18088 | name | ef:agent/bootstrap_labels | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v1 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v2 |
| ef:activity/change/20260820T1812399309960000/18089 | synonyms | ef:agent/bootstrap_labels | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v2 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v3 |
| ef:activity/change/20260820T1812399309960000/80736 | context | ef:agent/default_context_mapping | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v3 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v4 |
| ef:activity/change/20260820T1812399309960000/80737 | context_iri | ef:agent/default_context_mapping | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v4 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v5 |
| ef:activity/change/20260820T1812399309960000/219259 | unit_iri | ef:agent/unit_normalization | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v5 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v6 |
| ef:activity/change/20260820T1812399309960000/244113 | properties | ef:agent/enrich_references | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v6 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v7 |
| ef:activity/change/20260820T1812399309960000/244114 | skos_definition | ef:agent/enrich_references | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v7 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v8 |
| ef:activity/change/20260820T1812399309960000/244115 | references | ef:agent/enrich_references | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v8 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v9 |
| ef:activity/change/20260820T1812399309960000/253196 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v9 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v10 |
| ef:activity/change/20260820T1812399309960000/259182 | altLabel | ef:agent/consensus_match | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v10 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v11 |
| ef:activity/change/20260820T1812399309960000/259183 | cas_match_labels | ef:agent/consensus_match | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v11 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v12 |
| ef:activity/change/20260820T1812399309960000/278401 | properties | ef:agent/opsin_iupac | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v12 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v13 |
| ef:activity/change/20260820T1812399309960000/285159 | properties | ef:agent/rdkit_post_consensus | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v13 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v14 |
| ef:activity/change/20260820T1812399309960000/292970 | altLabel | ef:agent/dedupe_altlabels | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v14 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v15 |
| ef:activity/change/20260820T1812399309960000/321374 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v15 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v16 |
| ef:activity/change/20260820T1812399309960000/392762 | properties | ef:agent/normalise_property_values | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v16 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v17 |
| ef:activity/change/20260820T1812399309960000/401386 | types | ef:agent/link_flows_to_their_substance | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v17 | ef:flow/4227d08e-2e7b-4d18-8b7a-f69779e15ce5/v18 |