2,6-dichloro-4-nitroaniline
Everything that changed this flow. Back to the flow
ac9eaef7-de22-4373-8f5a-80a77c445d09
By field
14 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 3 catalogue altLabel value(s): 'AL 50' (grade code), 'NSC 218' (registry code), 'U-2069' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2,6-dichloro-4-nitroaniline||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-30-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-302a82362de22a71: {'99-30-9': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['99-30-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27864']; candidate_pubchem_cids=[7430, 70280, 4379664]; selected_pubchem_cids=[7430]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,079 | bootstrap_labels | prefLabel | — | [{"@value":"2,6-dichloro-4-nitroaniline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 10,080 | bootstrap_labels | name | 2,6-dichloro-4-nitroaniline | — | Purged legacy name field to enforce prefLabel usage |
| 10,081 | bootstrap_labels | synonyms | ["2,6-Dichlor-4-nitroanilin","2,6-Dichloro-4-nitroaniline (Dicloran)","2,6-Dichloro-4-nitrobenzenamine","4-Nitro-2,6-di… | [] | Removed legacy synonyms field in favor of structured labels |
| 152,554 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 152,555 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 216,692 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,810 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,811 | enrich_references | skos_definition | — | [{"@value":"A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,812 | enrich_references | references | [] | [{"@id":"agr:IND44384091","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['99-30-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27864']; candidate_pubchem_cids=[7430, 70280, 4379664]; selected_pubchem_cids=[7430]; 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 |
| 251,092 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | rdkit_pre_consensus from 'C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,823 | chebi_altlabels | altLabel | [] | [{"@value":"1-amino-2,6-dichloro-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,101 | consensus_match | altLabel | [{"@value":"1-amino-2,6-dichloro-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1-amino-2,6-dichloro-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | group_key=2,6-dichloro-4-nitroaniline||dimension=Environmental > media=Water > water_body=Long-term; cas=99-30-9; added Common Chemistry CAS names as altLabel: 2,6-Dichloro-4-nitro-phenylamine, 2,6-Dichloro-<em>p</em>-nitroaniline, AL 50, Aniline, 2,6-dichloro-4-nitro-, Benzenamine, 2,6-dichloro-4-nitro-, Botran 75B, Botran 75W, DCNA (fungicide), Dichloran (amine fungicide), NSC 218, U-2069; object_uuid=fo-302a82362de22a71 |
| 260,102 | consensus_match | cas_match_labels | — | {"99-30-9":"exactMatch"} | group_key=2,6-dichloro-4-nitroaniline||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-30-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-302a82362de22a71: {'99-30-9': 'exactMatch'} |
| 276,290 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,6-dichloro-4-nitroaniline' |
| 282,879 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | rdkit_post_consensus from 'Nc1c(Cl)cc([N+](=O)[O-])cc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,378 | strip_catalogue_altlabels | altLabel | [{"@value":"1-amino-2,6-dichloro-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1-amino-2,6-dichloro-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Removed 3 catalogue altLabel value(s): 'AL 50' (grade code), 'NSC 218' (registry code), 'U-2069' (grade code) |
| 357,320 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ac9eaef7-de22-… | associations resolved on the elementary layer |
| 390,638 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4Cl2N2O… | typed the way the ontology types it |
| 398,322 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,323 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_33286","rdfs:label":"agrochemical","http://www.w3.org/2004/02/skos/core#d… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/10079 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v0 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v1 |
| ef:activity/change/20260820T0738569779880000/10080 | name | ef:agent/bootstrap_labels | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v1 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v2 |
| ef:activity/change/20260820T0738569779880000/10081 | synonyms | ef:agent/bootstrap_labels | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v2 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v3 |
| ef:activity/change/20260820T0738569779880000/152554 | context | ef:agent/default_context_mapping | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v3 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v4 |
| ef:activity/change/20260820T0738569779880000/152555 | context_iri | ef:agent/default_context_mapping | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v4 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v5 |
| ef:activity/change/20260820T0738569779880000/216692 | unit_iri | ef:agent/unit_normalization | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v5 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v6 |
| ef:activity/change/20260820T0738569779880000/236810 | properties | ef:agent/enrich_references | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v6 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v7 |
| ef:activity/change/20260820T0738569779880000/236811 | skos_definition | ef:agent/enrich_references | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v7 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v8 |
| ef:activity/change/20260820T0738569779880000/236812 | references | ef:agent/enrich_references | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v8 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v9 |
| ef:activity/change/20260820T0738569779880000/251092 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v9 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v10 |
| ef:activity/change/20260820T0738569779880000/255823 | altLabel | ef:agent/chebi_altlabels | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v10 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v11 |
| ef:activity/change/20260820T0738569779880000/260101 | altLabel | ef:agent/consensus_match | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v11 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v12 |
| ef:activity/change/20260820T0738569779880000/260102 | cas_match_labels | ef:agent/consensus_match | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v12 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v13 |
| ef:activity/change/20260820T0738569779880000/276290 | properties | ef:agent/opsin_iupac | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v13 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v14 |
| ef:activity/change/20260820T0738569779880000/282879 | properties | ef:agent/rdkit_post_consensus | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v14 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v15 |
| ef:activity/change/20260820T0738569779880000/289378 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v15 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v16 |
| ef:activity/change/20260820T0738569779880000/357320 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v16 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v17 |
| ef:activity/change/20260820T0738569779880000/390638 | properties | ef:agent/normalise_property_values | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v17 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v18 |
| ef:activity/change/20260820T0738569779880000/398322 | types | ef:agent/link_flows_to_their_substance | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v18 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v19 |
| ef:activity/change/20260820T0738569779880000/398323 | roles | ef:agent/link_flows_to_their_substance | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v19 | ef:flow/ac9eaef7-de22-4373-8f5a-80a77c445d09/v20 |