3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic Acid
Everything that changed this flow. Back to the flow
cec7a4dd-018d-4ea6-bbb5-680a832abb98
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'500011-86-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-72ca18e6a21687ae: {'500011-86-9': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['500011-86-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11587535]; selected_pubchem_cids=[11587535]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,139 | bootstrap_labels | prefLabel | — | [{"@value":"3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid","@language":"en","source":{"prov:wasGenerat… | Bootstrapped prefLabel from legacy name field |
| 13,140 | bootstrap_labels | name | 3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid | — | Purged legacy name field to enforce prefLabel usage |
| 13,141 | bootstrap_labels | synonyms | ["organic","dbc80"] | [] | Removed legacy synonyms field in favor of structured labels |
| 172,152 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 172,153 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,682 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,136 | normalize_name_case | prefLabel | [{"@value":"3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic acid","@language":"en","source":{"prov:wasGenerat… | [{"@value":"3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic Acid","@language":"en","source":{"prov:wasGenerat… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,641 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,642 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,643 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.105.323","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['500011-86-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11587535]; selected_pubchem_cids=[11587535]; 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 |
| 251,901 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | rdkit_pre_consensus from 'C1=CC(=C(N=C1)N2C(=CC(=N2)Br)C(=O)O)Cl'; added: molecular_mass, monoisotopic_mass |
| 261,917 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-","@language":"en","source":{"prov… | group_key=3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=500011-86-9; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-, 3-Bromo-1-(3-chloro-2-pyridinyl)-1<em>H</em>-pyrazole-5-carboxylic acid; object_uuid=fo-72ca18e6a21687ae |
| 261,918 | consensus_match | cas_match_labels | — | {"500011-86-9":"exactMatch"} | group_key=3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'500011-86-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-72ca18e6a21687ae: {'500011-86-9': 'exactMatch'} |
| 277,089 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxylic Acid' |
| 283,749 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | rdkit_post_consensus from 'O=C(O)c1cc(Br)nn1-c1ncccc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,673 | dedupe_altlabels | altLabel | [{"@value":"1<em>H</em>-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-","@language":"en","source":{"prov… | [{"@value":"1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-","@language":"en","source":{"prov:wasGener… | Deduplicated altLabel values and removed entries matching prefLabel |
| 367,098 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cec7a4dd-018d-… | associations resolved on the elementary layer |
| 391,441 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H5BrClN3… | typed the way the ontology types it |
| 399,477 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1122181958110000/13139 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v0 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v1 |
| ef:activity/change/20260821T1122181958110000/13140 | name | ef:agent/bootstrap_labels | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v1 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v2 |
| ef:activity/change/20260821T1122181958110000/13141 | synonyms | ef:agent/bootstrap_labels | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v2 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v3 |
| ef:activity/change/20260821T1122181958110000/172152 | context | ef:agent/default_context_mapping | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v3 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v4 |
| ef:activity/change/20260821T1122181958110000/172153 | context_iri | ef:agent/default_context_mapping | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v4 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v5 |
| ef:activity/change/20260821T1122181958110000/217682 | unit_iri | ef:agent/unit_normalization | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v5 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v6 |
| ef:activity/change/20260821T1122181958110000/224136 | prefLabel | ef:agent/normalize_name_case | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v6 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v7 |
| ef:activity/change/20260821T1122181958110000/239641 | properties | ef:agent/enrich_references | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v7 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v8 |
| ef:activity/change/20260821T1122181958110000/239642 | skos_definition | ef:agent/enrich_references | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v8 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v9 |
| ef:activity/change/20260821T1122181958110000/239643 | references | ef:agent/enrich_references | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v9 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v10 |
| ef:activity/change/20260821T1122181958110000/251901 | properties | ef:agent/rdkit_pre_consensus | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v10 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v11 |
| ef:activity/change/20260821T1122181958110000/261917 | altLabel | ef:agent/consensus_match | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v11 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v12 |
| ef:activity/change/20260821T1122181958110000/261918 | cas_match_labels | ef:agent/consensus_match | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v12 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v13 |
| ef:activity/change/20260821T1122181958110000/277089 | properties | ef:agent/opsin_iupac | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v13 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v14 |
| ef:activity/change/20260821T1122181958110000/283749 | properties | ef:agent/rdkit_post_consensus | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v14 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v15 |
| ef:activity/change/20260821T1122181958110000/292673 | altLabel | ef:agent/dedupe_altlabels | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v15 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v16 |
| ef:activity/change/20260821T1122181958110000/367098 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v16 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v17 |
| ef:activity/change/20260821T1122181958110000/391441 | properties | ef:agent/normalise_property_values | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v17 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v18 |
| ef:activity/change/20260821T1122181958110000/399477 | types | ef:agent/link_flows_to_their_substance | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v18 | ef:flow/cec7a4dd-018d-4ea6-bbb5-680a832abb98/v19 |