Terephthaloyl dichloride
Everything that changed this flow. Back to the flow
e2fba106-6555-11dd-ad8b-0800200c9a66
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 | 3 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 41885' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | group_key=terephthaloyldichloride||dimension=Environmental > media=Air > strata=Unknown; relationship_class=exact_match; candidate_name=Terephthaloyl dichloride; cas=100-20-9; sources=['common_chemistry', 'ec_inventory']; reason=normalized names match; object_uuid=fo-8c50a4fd25f18223 |
| cas_match_labels | 1 | consensus_match | group_key=terephthaloyldichloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'100-20-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8c50a4fd25f18223: {'100-20-9': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-20-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[6955, 7488, 28932578]; selected_pubchem_cids=[7488]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,846 | bootstrap_labels | prefLabel | — | [{"@value":"terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 8,847 | bootstrap_labels | name | terephthaloyldichloride | — | Purged legacy name field to enforce prefLabel usage |
| 8,848 | bootstrap_labels | synonyms | ["1,4-BENZENEDICARBONYL DICHLORIDE","1,4-Benzenedicarbonyl chloride","AC1L1OVG","ST51037908","T0017","Terephthalic acid… | [] | Removed legacy synonyms field in favor of structured labels |
| 185,825 | 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 |
| 185,826 | 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 |
| 216,286 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,183 | normalize_name_case | prefLabel | [{"@value":"terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,647 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 235,648 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,649 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.979D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['100-20-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[6955, 7488, 28932578]; selected_pubchem_cids=[7488]; 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 |
| 250,756 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | rdkit_pre_consensus from 'C1=CC(=CC=C1C(=O)Cl)C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 272,304 | consensus_match | prefLabel | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Terephthaloyl dichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=terephthaloyldichloride||dimension=Environmental > media=Air > strata=Unknown; relationship_class=exact_match; candidate_name=Terephthaloyl dichloride; cas=100-20-9; sources=['common_chemistry', 'ec_inventory']; reason=normalized names match; object_uuid=fo-8c50a4fd25f18223 |
| 272,305 | consensus_match | altLabel | [] | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=terephthaloyldichloride||dimension=Environmental > media=Air > strata=Unknown; cas=100-20-9; added current EF name as altLabel when prefLabel differs; object_uuid=fo-8c50a4fd25f18223 |
| 272,306 | consensus_match | altLabel | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=terephthaloyldichloride||dimension=Environmental > media=Air > strata=Unknown; cas=100-20-9; added Common Chemistry CAS names as altLabel: 1,4-Benzenedicarbonyl chloride, 1,4-Benzenedicarbonyl dichloride, 1,4-Bis(chlorocarbonyl)benzene, 1,4-Di(chlorocarbonyl)benzene, <em>p</em>-Phenylenedicarbonyl dichloride, <em>p</em>-Phthaloyl chloride, <em>p</em>-Phthaloyl dichloride, Benzene 1,4-dicarboxylic acid dichloride, NSC 41885, Terephthalic acid chloride, Terephthalic acid dichloride, Terephthalic dichloride, Terephthaloyl chloride; object_uuid=fo-8c50a4fd25f18223 |
| 272,307 | consensus_match | cas_match_labels | — | {"100-20-9":"exactMatch"} | group_key=terephthaloyldichloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'100-20-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8c50a4fd25f18223: {'100-20-9': 'exactMatch'} |
| 275,931 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Terephthaloyl dichloride' |
| 282,499 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | rdkit_post_consensus from 'O=C(Cl)c1ccc(C(=O)Cl)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,114 | strip_catalogue_altlabels | altLabel | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"Terephthaloyldichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 41885' (registry code) |
| 373,971 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fba106-6555-… | associations resolved on the elementary layer |
| 390,303 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4Cl2O2"… | typed the way the ontology types it |
| 397,838 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20261019T0712047113160000/8846 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20261019T0712047113160000/8847 | name | ef:agent/bootstrap_labels | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20261019T0712047113160000/8848 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20261019T0712047113160000/185825 | context | ef:agent/default_context_mapping | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20261019T0712047113160000/185826 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20261019T0712047113160000/216286 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20261019T0712047113160000/223183 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20261019T0712047113160000/235647 | properties | ef:agent/enrich_references | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20261019T0712047113160000/235648 | skos_definition | ef:agent/enrich_references | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20261019T0712047113160000/235649 | references | ef:agent/enrich_references | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20261019T0712047113160000/250756 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20261019T0712047113160000/272304 | prefLabel | ef:agent/consensus_match | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20261019T0712047113160000/272305 | altLabel | ef:agent/consensus_match | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20261019T0712047113160000/272306 | altLabel | ef:agent/consensus_match | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20261019T0712047113160000/272307 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20261019T0712047113160000/275931 | properties | ef:agent/opsin_iupac | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20261019T0712047113160000/282499 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20261019T0712047113160000/289114 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20261019T0712047113160000/373971 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20261019T0712047113160000/390303 | properties | ef:agent/normalise_property_values | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20261019T0712047113160000/397838 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v20 | ef:flow/e2fba106-6555-11dd-ad8b-0800200c9a66/v21 |