1-chloro-2-nitrobenzene
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-b03b-0050c2490048
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 36934' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-chloro-2-nitrobenzene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-73-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5493d6a222fe2e7c: {'88-73-3': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 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=['88-73-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34270']; candidate_pubchem_cids=[6945, 271652, 22320046]; selected_pubchem_cids=[6945]; 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 |
|---|---|---|---|---|---|
| 8,492 | bootstrap_labels | prefLabel | — | [{"@value":"1-chloro-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 8,493 | bootstrap_labels | name | 1-chloro-2-nitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 8,494 | bootstrap_labels | synonyms | ["1-Nitro-2-chlorobenzene","2-CNB","2-Chloro-1-nitrobenzene","2-Chloronitrobenzene","2-Nitrochlorobenzene","AB1003135",… | [] | Removed legacy synonyms field in favor of structured labels |
| 211,344 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 211,345 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,166 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 235,297 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,298 | enrich_references | skos_definition | — | [{"@value":"A C-nitro compound that is nitrobenzene in which one of the ortho- hydrogens has been replaced by chlorine.… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,299 | enrich_references | references | [] | [{"@id":"agr:IND605527097","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['88-73-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34270']; candidate_pubchem_cids=[6945, 271652, 22320046]; selected_pubchem_cids=[6945]; 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 |
| 250,650 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)[N+](=O)[O-])Cl'; added: monoisotopic_mass |
| 255,570 | chebi_altlabels | altLabel | [] | [{"@value":"1-nitro-2-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,070 | consensus_match | altLabel | [{"@value":"1-nitro-2-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1-nitro-2-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=1-chloro-2-nitrobenzene||dimension=Environmental > media=Water > water_body=Ocean; cas=88-73-3; added Common Chemistry CAS names as altLabel: 2-Nitro-1-chlorobenzene, 2-Nitrophenyl chloride, <em>o</em>-Nitrobenzene chloride, Benzene, 1-chloro-2-nitro-, NSC 36934; object_uuid=fo-5493d6a222fe2e7c |
| 259,071 | consensus_match | cas_match_labels | — | {"88-73-3":"exactMatch"} | group_key=1-chloro-2-nitrobenzene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-73-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5493d6a222fe2e7c: {'88-73-3': 'exactMatch'} |
| 275,813 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-chloro-2-nitrobenzene' |
| 282,371 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | rdkit_post_consensus from 'O=[N+]([O-])c1ccccc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,998 | strip_catalogue_altlabels | altLabel | [{"@value":"1-nitro-2-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1-nitro-2-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 36934' (registry code) |
| 386,707 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 390,150 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4ClNO2"… | typed the way the ontology types it |
| 397,647 | 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/20260820T1812399309960000/8492 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v1 |
| ef:activity/change/20260820T1812399309960000/8493 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v2 |
| ef:activity/change/20260820T1812399309960000/8494 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v3 |
| ef:activity/change/20260820T1812399309960000/211344 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v4 |
| ef:activity/change/20260820T1812399309960000/211345 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v5 |
| ef:activity/change/20260820T1812399309960000/216166 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v6 |
| ef:activity/change/20260820T1812399309960000/235297 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v7 |
| ef:activity/change/20260820T1812399309960000/235298 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v8 |
| ef:activity/change/20260820T1812399309960000/235299 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v9 |
| ef:activity/change/20260820T1812399309960000/250650 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v10 |
| ef:activity/change/20260820T1812399309960000/255570 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v11 |
| ef:activity/change/20260820T1812399309960000/259070 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v12 |
| ef:activity/change/20260820T1812399309960000/259071 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v13 |
| ef:activity/change/20260820T1812399309960000/275813 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v14 |
| ef:activity/change/20260820T1812399309960000/282371 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v15 |
| ef:activity/change/20260820T1812399309960000/288998 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v16 |
| ef:activity/change/20260820T1812399309960000/386707 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v17 |
| ef:activity/change/20260820T1812399309960000/390150 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v18 |
| ef:activity/change/20260820T1812399309960000/397647 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-b03b-0050c2490048/v19 |