1-chloro-2,4-dinitrobenzene
Everything that changed this flow. Back to the flow
b7b65fd7-88d1-47b4-98bf-1badc7187933
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 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 6292' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-chloro-2,4-dinitrobenzene||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-00-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ad337d99b01ec2d0: {'97-00-7': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['97-00-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34718']; candidate_pubchem_cids=[6, 404684]; selected_pubchem_cids=[6]; 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 |
|---|---|---|---|---|---|
| 4,479 | bootstrap_labels | prefLabel | — | [{"@value":"1-chloro-2,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 4,480 | bootstrap_labels | name | 1-chloro-2,4-dinitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 4,481 | bootstrap_labels | synonyms | ["1 Chloro 2,4 Dinitrobenzene","1,3-Dinitro-4-chlorobenzene","1-CHLORO-24-DINITROBENZENE","1-Chloor-2,4-dinitrobenzeen"… | [] | Removed legacy synonyms field in favor of structured labels |
| 158,848 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 158,849 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 214,835 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,486 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,487 | enrich_references | skos_definition | — | [{"@value":"A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.","… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,488 | enrich_references | references | [] | [{"@id":"gmelin:28481","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['97-00-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34718']; candidate_pubchem_cids=[6, 404684]; selected_pubchem_cids=[6]; 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 |
| 249,553 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | rdkit_pre_consensus from 'C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl'; added: monoisotopic_mass |
| 254,942 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-Dinitro-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,054 | consensus_match | altLabel | [{"@value":"1,3-Dinitro-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1,3-Dinitro-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=1-chloro-2,4-dinitrobenzene||dimension=Environmental > media=Air > strata=Unknown; cas=97-00-7; added Common Chemistry CAS names as altLabel: 1-Chloro-2,4-nitrobenzene, 2-Chloro-1,5-dinitrobenzene, Benzene, 1-chloro-2,4-dinitro-, MeSH ID: D004137, NSC 6292; object_uuid=fo-ad337d99b01ec2d0 |
| 259,055 | consensus_match | cas_match_labels | — | {"97-00-7":"exactMatch"} | group_key=1-chloro-2,4-dinitrobenzene||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-00-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ad337d99b01ec2d0: {'97-00-7': 'exactMatch'} |
| 274,687 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-chloro-2,4-dinitrobenzene' |
| 281,142 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,158 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dinitro-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1,3-Dinitro-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 6292' (registry code) |
| 360,441 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b7b65fd7-88d1-… | associations resolved on the elementary layer |
| 388,988 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3ClN2O4… | typed the way the ontology types it |
| 395,950 | 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/20260820T1812399309960000/4479 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v0 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v1 |
| ef:activity/change/20260820T1812399309960000/4480 | name | ef:agent/bootstrap_labels | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v1 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v2 |
| ef:activity/change/20260820T1812399309960000/4481 | synonyms | ef:agent/bootstrap_labels | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v2 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v3 |
| ef:activity/change/20260820T1812399309960000/158848 | context | ef:agent/default_context_mapping | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v3 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v4 |
| ef:activity/change/20260820T1812399309960000/158849 | context_iri | ef:agent/default_context_mapping | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v4 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v5 |
| ef:activity/change/20260820T1812399309960000/214835 | unit_iri | ef:agent/unit_normalization | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v5 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v6 |
| ef:activity/change/20260820T1812399309960000/231486 | properties | ef:agent/enrich_references | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v6 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v7 |
| ef:activity/change/20260820T1812399309960000/231487 | skos_definition | ef:agent/enrich_references | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v7 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v8 |
| ef:activity/change/20260820T1812399309960000/231488 | references | ef:agent/enrich_references | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v8 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v9 |
| ef:activity/change/20260820T1812399309960000/249553 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v9 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v10 |
| ef:activity/change/20260820T1812399309960000/254942 | altLabel | ef:agent/chebi_altlabels | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v10 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v11 |
| ef:activity/change/20260820T1812399309960000/259054 | altLabel | ef:agent/consensus_match | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v11 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v12 |
| ef:activity/change/20260820T1812399309960000/259055 | cas_match_labels | ef:agent/consensus_match | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v12 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v13 |
| ef:activity/change/20260820T1812399309960000/274687 | properties | ef:agent/opsin_iupac | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v13 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v14 |
| ef:activity/change/20260820T1812399309960000/281142 | properties | ef:agent/rdkit_post_consensus | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v14 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v15 |
| ef:activity/change/20260820T1812399309960000/288158 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v15 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v16 |
| ef:activity/change/20260820T1812399309960000/360441 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v16 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v17 |
| ef:activity/change/20260820T1812399309960000/388988 | properties | ef:agent/normalise_property_values | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v17 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v18 |
| ef:activity/change/20260820T1812399309960000/395950 | types | ef:agent/link_flows_to_their_substance | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v18 | ef:flow/b7b65fd7-88d1-47b4-98bf-1badc7187933/v19 |