2,6-dinitroaniline
Everything that changed this flow. Back to the flow
cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2
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 93399' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,6-dinitroaniline||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'606-22-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-88bf4f5d4d9430a9: {'606-22-4': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 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=['606-22-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[69070, 276757]; selected_pubchem_cids=[69070]; 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 |
|---|---|---|---|---|---|
| 2,809 | bootstrap_labels | prefLabel | — | [{"@value":"2,6-dinitroaniline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 2,810 | bootstrap_labels | name | 2,6-dinitroaniline | — | Purged legacy name field to enforce prefLabel usage |
| 2,811 | bootstrap_labels | synonyms | ["2,6-Dinitrobenzenamine","AC-2794","AC1L2B21","AC1Q50VO","AC1Q5ATP","AE-641/30106013","AKOS003588999","Aniline, 2,6-di… | [] | Removed legacy synonyms field in favor of structured labels |
| 170,532 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 170,533 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 214,276 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,880 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,881 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,882 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.369G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['606-22-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[69070, 276757]; selected_pubchem_cids=[69070]; 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 |
| 249,095 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | rdkit_pre_consensus from 'C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 260,148 | consensus_match | altLabel | [] | [{"@value":"1-Amino-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=2,6-dinitroaniline||dimension=Environmental > media=Water > water_body=Surface water; cas=606-22-4; added Common Chemistry CAS names as altLabel: 1-Amino-2,6-dinitrobenzene, 2,6-Dinitro-phenylamine, 2,6-Dinitrobenzenamine, 2-Amino-1,3-dinitrobenzene, Aniline, 2,6-dinitro-, Benzenamine, 2,6-dinitro-, NSC 93399; object_uuid=fo-88bf4f5d4d9430a9 |
| 260,149 | consensus_match | cas_match_labels | — | {"606-22-4":"exactMatch"} | group_key=2,6-dinitroaniline||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'606-22-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-88bf4f5d4d9430a9: {'606-22-4': 'exactMatch'} |
| 274,216 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,6-dinitroaniline' |
| 280,638 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | rdkit_post_consensus from 'Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,809 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Amino-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | [{"@value":"1-Amino-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 93399' (registry code) |
| 366,292 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cbe943cb-95b2-… | associations resolved on the elementary layer |
| 388,507 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | typed the way the ontology types it |
| 395,269 | 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/20260821T1302361922970000/2809 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v0 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v1 |
| ef:activity/change/20260821T1302361922970000/2810 | name | ef:agent/bootstrap_labels | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v1 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v2 |
| ef:activity/change/20260821T1302361922970000/2811 | synonyms | ef:agent/bootstrap_labels | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v2 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v3 |
| ef:activity/change/20260821T1302361922970000/170532 | context | ef:agent/default_context_mapping | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v3 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v4 |
| ef:activity/change/20260821T1302361922970000/170533 | context_iri | ef:agent/default_context_mapping | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v4 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v5 |
| ef:activity/change/20260821T1302361922970000/214276 | unit_iri | ef:agent/unit_normalization | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v5 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v6 |
| ef:activity/change/20260821T1302361922970000/229880 | properties | ef:agent/enrich_references | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v6 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v7 |
| ef:activity/change/20260821T1302361922970000/229881 | skos_definition | ef:agent/enrich_references | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v7 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v8 |
| ef:activity/change/20260821T1302361922970000/229882 | references | ef:agent/enrich_references | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v8 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v9 |
| ef:activity/change/20260821T1302361922970000/249095 | properties | ef:agent/rdkit_pre_consensus | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v9 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v10 |
| ef:activity/change/20260821T1302361922970000/260148 | altLabel | ef:agent/consensus_match | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v10 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v11 |
| ef:activity/change/20260821T1302361922970000/260149 | cas_match_labels | ef:agent/consensus_match | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v11 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v12 |
| ef:activity/change/20260821T1302361922970000/274216 | properties | ef:agent/opsin_iupac | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v12 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v13 |
| ef:activity/change/20260821T1302361922970000/280638 | properties | ef:agent/rdkit_post_consensus | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v13 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v14 |
| ef:activity/change/20260821T1302361922970000/287809 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v14 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v15 |
| ef:activity/change/20260821T1302361922970000/366292 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v15 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v16 |
| ef:activity/change/20260821T1302361922970000/388507 | properties | ef:agent/normalise_property_values | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v16 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v17 |
| ef:activity/change/20260821T1302361922970000/395269 | types | ef:agent/link_flows_to_their_substance | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v17 | ef:flow/cbe943cb-95b2-4cf6-abe4-6cf9e0d01ec2/v18 |