2-chloro-1-(4-fluorophenyl)ethanone
Everything that changed this flow. Back to the flow
2bd3c601-fcb8-4f74-89a1-b506e9955a4f
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=2-chloro-1-(4-fluorophenyl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'456-04-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7105dd25b1a1e693: {'456-04-2': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['456-04-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[97440, 120248, 2736507]; selected_pubchem_cids=[120248]; 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 |
|---|---|---|---|---|---|
| 9,214 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-1-(4-fluorophenyl)ethanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 9,215 | bootstrap_labels | name | 2-chloro-1-(4-fluorophenyl)ethanone | — | Purged legacy name field to enforce prefLabel usage |
| 9,216 | bootstrap_labels | synonyms | ["organic","î±-chloro-4-fluoroacetophenone"] | [] | Removed legacy synonyms field in favor of structured labels |
| 66,036 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 66,037 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,405 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 235,997 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 235,998 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,999 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J90.722G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['456-04-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[97440, 120248, 2736507]; selected_pubchem_cids=[120248]; 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 |
| 250,850 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | rdkit_pre_consensus from 'C1=CC(=CC=C1C(=O)CCl)F'; added: molecular_mass, monoisotopic_mass |
| 260,634 | consensus_match | altLabel | [] | [{"@value":"2-Chloro-1-(4-fluorophenyl)-1-ethanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=2-chloro-1-(4-fluorophenyl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; cas=456-04-2; added Common Chemistry CAS names as altLabel: 2-Chloro-1-(4-fluorophenyl)-1-ethanone, 2-Chloro-1-(4′-fluorophenyl)ethanone, 2-Chloro-4′-fluoroacetophenone, 2′-Chloro-4-fluoroacetophenone, 4-Fluorophenacyl chloride, 4′-Fluoro-2-chloroacetophenone, <em>p</em>-Fluorophenacyl chloride, Acetophenone, 2-chloro-4′-fluoro-, Chloromethyl 4-fluorophenyl ketone, Ethanone, 2-chloro-1-(4-fluorophenyl)-, α-Chloro-<em>p</em>-fluoroacetophenone; object_uuid=fo-7105dd25b1a1e693 |
| 260,635 | consensus_match | cas_match_labels | — | {"456-04-2":"exactMatch"} | group_key=2-chloro-1-(4-fluorophenyl)ethanone||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'456-04-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7105dd25b1a1e693: {'456-04-2': 'exactMatch'} |
| 276,034 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-1-(4-fluorophenyl)ethanone' |
| 282,605 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | rdkit_post_consensus from 'O=C(CCl)c1ccc(F)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,428 | dedupe_altlabels | altLabel | [{"@value":"2-Chloro-1-(4-fluorophenyl)-1-ethanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"2-Chloro-1-(4-fluorophenyl)-1-ethanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Deduplicated altLabel values and removed entries matching prefLabel |
| 314,033 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2bd3c601-fcb8-… | associations resolved on the elementary layer |
| 390,381 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClFO"]… | typed the way the ontology types it |
| 397,965 | 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/20260821T1122181958110000/9214 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v0 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v1 |
| ef:activity/change/20260821T1122181958110000/9215 | name | ef:agent/bootstrap_labels | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v1 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v2 |
| ef:activity/change/20260821T1122181958110000/9216 | synonyms | ef:agent/bootstrap_labels | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v2 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v3 |
| ef:activity/change/20260821T1122181958110000/66036 | context | ef:agent/default_context_mapping | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v3 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v4 |
| ef:activity/change/20260821T1122181958110000/66037 | context_iri | ef:agent/default_context_mapping | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v4 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v5 |
| ef:activity/change/20260821T1122181958110000/216405 | unit_iri | ef:agent/unit_normalization | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v5 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v6 |
| ef:activity/change/20260821T1122181958110000/235997 | properties | ef:agent/enrich_references | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v6 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v7 |
| ef:activity/change/20260821T1122181958110000/235998 | skos_definition | ef:agent/enrich_references | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v7 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v8 |
| ef:activity/change/20260821T1122181958110000/235999 | references | ef:agent/enrich_references | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v8 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v9 |
| ef:activity/change/20260821T1122181958110000/250850 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v9 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v10 |
| ef:activity/change/20260821T1122181958110000/260634 | altLabel | ef:agent/consensus_match | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v10 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v11 |
| ef:activity/change/20260821T1122181958110000/260635 | cas_match_labels | ef:agent/consensus_match | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v11 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v12 |
| ef:activity/change/20260821T1122181958110000/276034 | properties | ef:agent/opsin_iupac | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v12 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v13 |
| ef:activity/change/20260821T1122181958110000/282605 | properties | ef:agent/rdkit_post_consensus | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v13 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v14 |
| ef:activity/change/20260821T1122181958110000/292428 | altLabel | ef:agent/dedupe_altlabels | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v14 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v15 |
| ef:activity/change/20260821T1122181958110000/314033 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v15 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v16 |
| ef:activity/change/20260821T1122181958110000/390381 | properties | ef:agent/normalise_property_values | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v16 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v17 |
| ef:activity/change/20260821T1122181958110000/397965 | types | ef:agent/link_flows_to_their_substance | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v17 | ef:flow/2bd3c601-fcb8-4f74-89a1-b506e9955a4f/v18 |