2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene
Everything that changed this flow. Back to the flow
67e42d56-e9cd-4e2f-9a52-e86c33a5bef3
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 | 1 | consensus_match | group_key=2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Unknown; cas=92878-95-0; added Common Chemistry CAS names as altLabel: 1-(2-Methoxy-5-nitrophenoxy)-3-chloropropane, Benzene, 2-(3-chloropropoxy)-1-methoxy-4-nitro-; object_uuid=fo-9580cd151ba22f5b |
| cas_match_labels | 1 | consensus_match | group_key=2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'92878-95-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9580cd151ba22f5b: {'92878-95-0': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['92878-95-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[13300180]; selected_pubchem_cids=[13300180]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,019 | bootstrap_labels | prefLabel | — | [{"@value":"2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 5,020 | bootstrap_labels | name | 2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 5,021 | bootstrap_labels | synonyms | ["organic","benzene,2-(3-chloropropoxy)-1-methoxy-4-nitro-othernamesbenzene,2-(3-chloropropoxy)-1-methoxy-4-nitro-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 111,614 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 111,615 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,016 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,006 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,007 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,008 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.127.374","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['92878-95-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[13300180]; selected_pubchem_cids=[13300180]; 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 |
| 249,704 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | rdkit_pre_consensus from 'COC1=C(C=C(C=C1)[N+](=O)[O-])OCCCCl'; added: molecular_mass, monoisotopic_mass |
| 260,292 | consensus_match | altLabel | [] | [{"@value":"1-(2-Methoxy-5-nitrophenoxy)-3-chloropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | group_key=2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Unknown; cas=92878-95-0; added Common Chemistry CAS names as altLabel: 1-(2-Methoxy-5-nitrophenoxy)-3-chloropropane, Benzene, 2-(3-chloropropoxy)-1-methoxy-4-nitro-; object_uuid=fo-9580cd151ba22f5b |
| 260,293 | consensus_match | cas_match_labels | — | {"92878-95-0":"exactMatch"} | group_key=2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'92878-95-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9580cd151ba22f5b: {'92878-95-0': 'exactMatch'} |
| 274,840 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene' |
| 281,311 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | rdkit_post_consensus from 'COc1ccc([N+](=O)[O-])cc1OCCCCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 336,806 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/67e42d56-e9cd-… | associations resolved on the elementary layer |
| 389,145 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12ClNO… | typed the way the ontology types it |
| 396,178 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/5019 | prefLabel | ef:agent/bootstrap_labels | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v0 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v1 |
| ef:activity/change/20260821T1302361922970000/5020 | name | ef:agent/bootstrap_labels | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v1 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v2 |
| ef:activity/change/20260821T1302361922970000/5021 | synonyms | ef:agent/bootstrap_labels | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v2 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v3 |
| ef:activity/change/20260821T1302361922970000/111614 | context | ef:agent/default_context_mapping | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v3 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v4 |
| ef:activity/change/20260821T1302361922970000/111615 | context_iri | ef:agent/default_context_mapping | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v4 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v5 |
| ef:activity/change/20260821T1302361922970000/215016 | unit_iri | ef:agent/unit_normalization | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v5 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v6 |
| ef:activity/change/20260821T1302361922970000/232006 | properties | ef:agent/enrich_references | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v6 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v7 |
| ef:activity/change/20260821T1302361922970000/232007 | skos_definition | ef:agent/enrich_references | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v7 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v8 |
| ef:activity/change/20260821T1302361922970000/232008 | references | ef:agent/enrich_references | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v8 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v9 |
| ef:activity/change/20260821T1302361922970000/249704 | properties | ef:agent/rdkit_pre_consensus | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v9 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v10 |
| ef:activity/change/20260821T1302361922970000/260292 | altLabel | ef:agent/consensus_match | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v10 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v11 |
| ef:activity/change/20260821T1302361922970000/260293 | cas_match_labels | ef:agent/consensus_match | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v11 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v12 |
| ef:activity/change/20260821T1302361922970000/274840 | properties | ef:agent/opsin_iupac | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v12 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v13 |
| ef:activity/change/20260821T1302361922970000/281311 | properties | ef:agent/rdkit_post_consensus | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v13 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v14 |
| ef:activity/change/20260821T1302361922970000/336806 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v14 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v15 |
| ef:activity/change/20260821T1302361922970000/389145 | properties | ef:agent/normalise_property_values | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v15 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v16 |
| ef:activity/change/20260821T1302361922970000/396178 | types | ef:agent/link_flows_to_their_substance | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v16 | ef:flow/67e42d56-e9cd-4e2f-9a52-e86c33a5bef3/v17 |