1-chloro-2,5-dimethoxy-4-nitrobenzene
Everything that changed this flow. Back to the flow
963f17f7-6b49-4365-bdbe-fddac20ecf39
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 60143' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-chloro-2,5-dimethoxy-4-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'6940-53-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15c6aec0131a95e1: {'6940-53-0': '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=['6940-53-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[81362, 110126]; selected_pubchem_cids=[81362]; 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 |
|---|---|---|---|---|---|
| 16,433 | bootstrap_labels | prefLabel | — | [{"@value":"1-chloro-2,5-dimethoxy-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 16,434 | bootstrap_labels | name | 1-chloro-2,5-dimethoxy-4-nitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 16,435 | bootstrap_labels | synonyms | ["organic","1-chloro-2,5-dimethoxy-4-nitrobenzene","1-chlor-2,5-dimethoxy-4-nitrobenzoltf","1-chloro-2,5-dimethoxy-4-ni… | [] | Removed legacy synonyms field in favor of structured labels |
| 139,050 | 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) |
| 139,051 | 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) |
| 218,734 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,635 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,636 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,637 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J160.887H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['6940-53-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[81362, 110126]; selected_pubchem_cids=[81362]; 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 |
| 252,772 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | rdkit_pre_consensus from 'COC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl'; added: molecular_mass, monoisotopic_mass |
| 259,056 | consensus_match | altLabel | [] | [{"@value":"1-Chloro-2,5-bis(methyloxy)-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=1-chloro-2,5-dimethoxy-4-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=6940-53-0; added Common Chemistry CAS names as altLabel: 1-Chloro-2,5-bis(methyloxy)-4-nitrobenzene, 2,5-Dimethoxy-4-chloronitrobenzene, 4-Chloro-2,5-dimethoxynitrobenzene, Benzene, 1-chloro-2,5-dimethoxy-4-nitro-, NSC 60143; object_uuid=fo-15c6aec0131a95e1 |
| 259,057 | consensus_match | cas_match_labels | — | {"6940-53-0":"exactMatch"} | group_key=1-chloro-2,5-dimethoxy-4-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'6940-53-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-15c6aec0131a95e1: {'6940-53-0': 'exactMatch'} |
| 277,973 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-chloro-2,5-dimethoxy-4-nitrobenzene' |
| 284,695 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | rdkit_post_consensus from 'COc1cc([N+](=O)[O-])c(OC)cc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,581 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Chloro-2,5-bis(methyloxy)-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | [{"@value":"1-Chloro-2,5-bis(methyloxy)-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Removed 1 catalogue altLabel value(s): 'NSC 60143' (registry code) |
| 350,519 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/963f17f7-6b49-… | associations resolved on the elementary layer |
| 392,322 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO4"… | typed the way the ontology types it |
| 400,734 | 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/20260820T1812399309960000/16433 | prefLabel | ef:agent/bootstrap_labels | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v0 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v1 |
| ef:activity/change/20260820T1812399309960000/16434 | name | ef:agent/bootstrap_labels | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v1 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v2 |
| ef:activity/change/20260820T1812399309960000/16435 | synonyms | ef:agent/bootstrap_labels | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v2 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v3 |
| ef:activity/change/20260820T1812399309960000/139050 | context | ef:agent/default_context_mapping | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v3 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v4 |
| ef:activity/change/20260820T1812399309960000/139051 | context_iri | ef:agent/default_context_mapping | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v4 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v5 |
| ef:activity/change/20260820T1812399309960000/218734 | unit_iri | ef:agent/unit_normalization | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v5 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v6 |
| ef:activity/change/20260820T1812399309960000/242635 | properties | ef:agent/enrich_references | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v6 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v7 |
| ef:activity/change/20260820T1812399309960000/242636 | skos_definition | ef:agent/enrich_references | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v7 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v8 |
| ef:activity/change/20260820T1812399309960000/242637 | references | ef:agent/enrich_references | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v8 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v9 |
| ef:activity/change/20260820T1812399309960000/252772 | properties | ef:agent/rdkit_pre_consensus | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v9 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v10 |
| ef:activity/change/20260820T1812399309960000/259056 | altLabel | ef:agent/consensus_match | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v10 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v11 |
| ef:activity/change/20260820T1812399309960000/259057 | cas_match_labels | ef:agent/consensus_match | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v11 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v12 |
| ef:activity/change/20260820T1812399309960000/277973 | properties | ef:agent/opsin_iupac | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v12 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v13 |
| ef:activity/change/20260820T1812399309960000/284695 | properties | ef:agent/rdkit_post_consensus | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v13 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v14 |
| ef:activity/change/20260820T1812399309960000/290581 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v14 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v15 |
| ef:activity/change/20260820T1812399309960000/350519 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v15 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v16 |
| ef:activity/change/20260820T1812399309960000/392322 | properties | ef:agent/normalise_property_values | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v16 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v17 |
| ef:activity/change/20260820T1812399309960000/400734 | types | ef:agent/link_flows_to_their_substance | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v17 | ef:flow/963f17f7-6b49-4365-bdbe-fddac20ecf39/v18 |