1,2-dibromo-2,4-dicyanobutane
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9652-0050c2490048
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): 'Merguard 1105' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=1,2-dibromo-2,4-dicyanobutane||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'35691-65-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a2e664df736b1bab: {'35691-65-7': '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=['35691-65-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_62823']; candidate_pubchem_cids=[61948, 11963115]; selected_pubchem_cids=[61948]; 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 |
|---|---|---|---|---|---|
| 20,641 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-dibromo-2,4-dicyanobutane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 20,642 | bootstrap_labels | name | 1,2-dibromo-2,4-dicyanobutane | — | Purged legacy name field to enforce prefLabel usage |
| 21,744 | bootstrap_labels | synonyms | ["1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile","2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE","2-Bromo-2-(bromomethyl)… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,254 | 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 |
| 92,255 | 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 |
| 220,012 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,218 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,219 | enrich_references | skos_definition | — | [{"@value":"An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at p… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,220 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.889K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['35691-65-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_62823']; candidate_pubchem_cids=[61948, 11963115]; selected_pubchem_cids=[61948]; 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 |
| 253,809 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | rdkit_pre_consensus from 'C(CC(CBr)(C#N)Br)C#N'; added: monoisotopic_mass |
| 257,022 | chebi_altlabels | altLabel | [] | [{"@value":"1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,367 | consensus_match | altLabel | [{"@value":"1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | [{"@value":"1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | group_key=1,2-dibromo-2,4-dicyanobutane||dimension=Environmental > media=Air > indoor=Unknown; cas=35691-65-7; added Common Chemistry CAS names as altLabel: BBMG, Cosmoguard, DBDCB, MDBGN, Merguard 1105, Pentanedinitrile, 2-bromo-2-(bromomethyl)-, Tektamer, Tektamer 38, Tektamer 38AD, Tuopai DM 01; object_uuid=fo-a2e664df736b1bab |
| 258,368 | consensus_match | cas_match_labels | — | {"35691-65-7":"exactMatch"} | group_key=1,2-dibromo-2,4-dicyanobutane||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'35691-65-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a2e664df736b1bab: {'35691-65-7': 'exactMatch'} |
| 279,008 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2-dibromo-2,4-dicyanobutane' |
| 285,833 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | rdkit_post_consensus from 'N#CCCC(Br)(C#N)CBr'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,349 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | [{"@value":"1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | Removed 1 catalogue altLabel value(s): 'Merguard 1105' (trade name) |
| 327,126 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,386 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6Br2N2"… | typed the way the ontology types it |
| 402,320 | 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/20260820T1812399309960000/20641 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v1 |
| ef:activity/change/20260820T1812399309960000/20642 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v2 |
| ef:activity/change/20260820T1812399309960000/21744 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v3 |
| ef:activity/change/20260820T1812399309960000/92254 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v4 |
| ef:activity/change/20260820T1812399309960000/92255 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v5 |
| ef:activity/change/20260820T1812399309960000/220012 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v6 |
| ef:activity/change/20260820T1812399309960000/246218 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v7 |
| ef:activity/change/20260820T1812399309960000/246219 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v8 |
| ef:activity/change/20260820T1812399309960000/246220 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v9 |
| ef:activity/change/20260820T1812399309960000/253809 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v10 |
| ef:activity/change/20260820T1812399309960000/257022 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v11 |
| ef:activity/change/20260820T1812399309960000/258367 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v12 |
| ef:activity/change/20260820T1812399309960000/258368 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v13 |
| ef:activity/change/20260820T1812399309960000/279008 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v14 |
| ef:activity/change/20260820T1812399309960000/285833 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v15 |
| ef:activity/change/20260820T1812399309960000/291349 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v16 |
| ef:activity/change/20260820T1812399309960000/327126 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v17 |
| ef:activity/change/20260820T1812399309960000/393386 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v18 |
| ef:activity/change/20260820T1812399309960000/402320 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9652-0050c2490048/v19 |