1,2-dichloro-3-nitrobenzene
Everything that changed this flow. Back to the flow
c5729286-d7b8-4273-9816-c71399438104
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 60641' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,2-dichloro-3-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3209-22-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f390d7ff48fd5417: {'3209-22-1': '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 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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3209-22-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[18555, 351057]; selected_pubchem_cids=[18555]; 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 |
|---|---|---|---|---|---|
| 19,375 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-dichloro-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 19,376 | bootstrap_labels | name | 1,2-dichloro-3-nitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 20,336 | bootstrap_labels | synonyms | ["1,2-dichloro-3-nitrobenzene","2,3-dichloronitrobenzene","benzene, 1,2-dichloro-3-nitro-","2,3-dichloro-1-nitrobenzene… | [] | Removed legacy synonyms field in favor of structured labels |
| 166,686 | 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 |
| 166,687 | 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 |
| 219,648 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,196 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,197 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,198 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.176H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3209-22-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[18555, 351057]; selected_pubchem_cids=[18555]; 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 |
| 253,509 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | rdkit_pre_consensus from 'C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 258,385 | consensus_match | altLabel | [] | [{"@value":"2,3-Dichloro-1-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=1,2-dichloro-3-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=3209-22-1; added Common Chemistry CAS names as altLabel: 2,3-Dichloro-1-nitrobenzene, 2,3-Dichloronitrobenzene, Benzene, 1,2-dichloro-3-nitro-, NSC 60641; object_uuid=fo-f390d7ff48fd5417 |
| 258,386 | consensus_match | cas_match_labels | — | {"3209-22-1":"exactMatch"} | group_key=1,2-dichloro-3-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3209-22-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f390d7ff48fd5417: {'3209-22-1': 'exactMatch'} |
| 278,722 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2-dichloro-3-nitrobenzene' |
| 285,503 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | rdkit_post_consensus from 'O=[N+]([O-])c1cccc(Cl)c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,145 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3-Dichloro-1-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"2,3-Dichloro-1-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 60641' (registry code) |
| 364,362 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c5729286-d7b8-… | associations resolved on the elementary layer |
| 393,085 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3Cl2NO2… | typed the way the ontology types it |
| 401,859 | 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/20260820T1812399309960000/19375 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v0 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v1 |
| ef:activity/change/20260820T1812399309960000/19376 | name | ef:agent/bootstrap_labels | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v1 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v2 |
| ef:activity/change/20260820T1812399309960000/20336 | synonyms | ef:agent/bootstrap_labels | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v2 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v3 |
| ef:activity/change/20260820T1812399309960000/166686 | context | ef:agent/default_context_mapping | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v3 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v4 |
| ef:activity/change/20260820T1812399309960000/166687 | context_iri | ef:agent/default_context_mapping | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v4 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v5 |
| ef:activity/change/20260820T1812399309960000/219648 | unit_iri | ef:agent/unit_normalization | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v5 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v6 |
| ef:activity/change/20260820T1812399309960000/245196 | properties | ef:agent/enrich_references | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v6 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v7 |
| ef:activity/change/20260820T1812399309960000/245197 | skos_definition | ef:agent/enrich_references | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v7 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v8 |
| ef:activity/change/20260820T1812399309960000/245198 | references | ef:agent/enrich_references | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v8 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v9 |
| ef:activity/change/20260820T1812399309960000/253509 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v9 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v10 |
| ef:activity/change/20260820T1812399309960000/258385 | altLabel | ef:agent/consensus_match | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v10 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v11 |
| ef:activity/change/20260820T1812399309960000/258386 | cas_match_labels | ef:agent/consensus_match | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v11 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v12 |
| ef:activity/change/20260820T1812399309960000/278722 | properties | ef:agent/opsin_iupac | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v12 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v13 |
| ef:activity/change/20260820T1812399309960000/285503 | properties | ef:agent/rdkit_post_consensus | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v13 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v14 |
| ef:activity/change/20260820T1812399309960000/291145 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v14 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v15 |
| ef:activity/change/20260820T1812399309960000/364362 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v15 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v16 |
| ef:activity/change/20260820T1812399309960000/393085 | properties | ef:agent/normalise_property_values | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v16 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v17 |
| ef:activity/change/20260820T1812399309960000/401859 | types | ef:agent/link_flows_to_their_substance | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v17 | ef:flow/c5729286-d7b8-4273-9816-c71399438104/v18 |