1,4-diazabicyclooctane
Everything that changed this flow. Back to the flow
7f26d14b-268c-4e20-98ed-9d78a8deadd0
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 22 catalogue altLabel value(s): 'A 300 (diamine)' (grade code), 'A 33' (grade code), 'A 98' (grade code), 'A 98 (amine)' (grade code), 'AE 33' (grade code), 'Activator 105E' (trade name), 'D 0493' (grade code), 'KC 152' (grade code), 'L 33' (grade code), 'L 33E' (grade code), 'LC 96003' (grade code), 'LV 33' (grade code), 'Maycat 633' (trade name), 'NSC 56362' (registry code), 'PT 301' (grade code), 'PT 301 (catalyst)' (grade code), 'PUR 812' (grade code), 'S 25' (grade code), 'S 33' (grade code), 'TD 100' (grade code), and 2 more |
| cas_match_labels | 1 | consensus_match | group_key=1,4-diazabicyclooctane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'280-57-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-071dccdde05af9f4: {'280-57-9': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['280-57-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_151129']; candidate_pubchem_cids=[9237, 11007871, 20574712]; selected_pubchem_cids=[9237]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 683 | bootstrap_labels | prefLabel | — | [{"@value":"1,4-diazabicyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 684 | bootstrap_labels | name | 1,4-diazabicyclooctane | — | Purged legacy name field to enforce prefLabel usage |
| 685 | bootstrap_labels | synonyms | ["1,4-DIAZABICYCLO(2.2.2)OCTANE","1,4-DIAZABICYCLO-(2,2,2)-OCTANE","1,4-DIAZABICYCLO-[2.2.2]OCTANE","1,4-Diaza[2.2.2]bi… | [] | Removed legacy synonyms field in favor of structured labels |
| 125,428 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 125,429 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 213,568 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,826 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,827 | enrich_references | skos_definition | — | [{"@value":"An organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,828 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.451H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['280-57-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_151129']; candidate_pubchem_cids=[9237, 11007871, 20574712]; selected_pubchem_cids=[9237]; 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 |
| 248,501 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | rdkit_pre_consensus from 'C1CN2CCN1CC2'; added: monoisotopic_mass |
| 254,473 | chebi_altlabels | altLabel | [] | [{"@value":"1,4-diaza[2.2.2]bicyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,682 | consensus_match | altLabel | [{"@value":"1,4-diaza[2.2.2]bicyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"1,4-diaza[2.2.2]bicyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=1,4-diazabicyclooctane||dimension=Environmental > media=Air > strata=Long-term; cas=280-57-9; added Common Chemistry CAS names as altLabel: 33LSI, 33LV, 33LX, <em>N</em>,<em>N</em>′-<em>endo</em>-Ethylenepiperazine, A 300 (diamine), A 33, A 33LV, A 98, A 98 (amine), AE 33, Activator 105E, Amicure TEDA, Bicyclo[2.2.2]-1,4-diazaoctane, Catalyst A 33, D 0493, D 33LV, DABCO Crystal, Dabco 33, Dabco 33LV, Dabco 33LX, Dabco 33S, Dabco 3LV, Dabco A 33, Dabco Crystalline, Dabco D 0134, Dabco H 1010, Dabco L 1202, Dabco LV 33, Dabco S 25, Jeffcat TD 100, KC 152, Kaolizer 31, L 33, L 33E, LC 96003, LV 33, Lupragen N 201, Maycat 633, Minico L 1020, NSC 56362, Niax A 33, PC CAT TD 33, PC-TD, PT 301, PT 301 (catalyst), PUR 812, Polycat 33LV, S 25, S 33, TD 100, TEDA 33, TEDA 33P, TEDA L 33, TEDA-L 25B, TEDA-L 33B, Tegamine 33, Tego Amine, Tegoamin 33, Texacat TD 100, Texacat TD 33, Thancat TD 33, Thancat TD 33A, Toral SM 2, Toyocat L 33, Toyocat TEDA L 33, Triethylenediamine, Wanalyst KC 152; object_uuid=fo-071dccdde05af9f4 |
| 258,683 | consensus_match | cas_match_labels | — | {"280-57-9":"exactMatch"} | group_key=1,4-diazabicyclooctane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'280-57-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-071dccdde05af9f4: {'280-57-9': 'exactMatch'} |
| 273,642 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,4-diazabicyclooctane' |
| 280,006 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28N2",… | rdkit_post_consensus from 'C1CCCC(N2CCCCNCC2)CCC1'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,665 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28N2",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | withhold_contradicted_composition: the registry registers [(('C', 6), ('N', 2))], contradicting ['C14H28N2'] from ['rdkit_post_consensus']; withdrew inchi2d_key_string x1, molecular_formula x1, molecular_mass x1, monoisotopic_mass x1 |
| 287,406 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-diaza[2.2.2]bicyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"1,4-diaza[2.2.2]bicyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 22 catalogue altLabel value(s): 'A 300 (diamine)' (grade code), 'A 33' (grade code), 'A 98' (grade code), 'A 98 (amine)' (grade code), 'AE 33' (grade code), 'Activator 105E' (trade name), 'D 0493' (grade code), 'KC 152' (grade code), 'L 33' (grade code), 'L 33E' (grade code), 'LC 96003' (grade code), 'LV 33' (grade code), 'Maycat 633' (trade name), 'NSC 56362' (registry code), 'PT 301' (grade code), 'PT 301 (catalyst)' (grade code), 'PUR 812' (grade code), 'S 25' (grade code), 'S 33' (grade code), 'TD 100' (grade code), and 2 more |
| 343,736 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7f26d14b-268c-… | associations resolved on the elementary layer |
| 387,919 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | typed the way the ontology types it |
| 394,458 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T0738569779880000/683 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v0 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v1 |
| ef:activity/change/20260820T0738569779880000/684 | name | ef:agent/bootstrap_labels | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v1 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v2 |
| ef:activity/change/20260820T0738569779880000/685 | synonyms | ef:agent/bootstrap_labels | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v2 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v3 |
| ef:activity/change/20260820T0738569779880000/125428 | context | ef:agent/default_context_mapping | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v3 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v4 |
| ef:activity/change/20260820T0738569779880000/125429 | context_iri | ef:agent/default_context_mapping | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v4 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v5 |
| ef:activity/change/20260820T0738569779880000/213568 | unit_iri | ef:agent/unit_normalization | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v5 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v6 |
| ef:activity/change/20260820T0738569779880000/227826 | properties | ef:agent/enrich_references | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v6 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v7 |
| ef:activity/change/20260820T0738569779880000/227827 | skos_definition | ef:agent/enrich_references | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v7 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v8 |
| ef:activity/change/20260820T0738569779880000/227828 | references | ef:agent/enrich_references | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v8 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v9 |
| ef:activity/change/20260820T0738569779880000/248501 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v9 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v10 |
| ef:activity/change/20260820T0738569779880000/254473 | altLabel | ef:agent/chebi_altlabels | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v10 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v11 |
| ef:activity/change/20260820T0738569779880000/258682 | altLabel | ef:agent/consensus_match | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v11 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v12 |
| ef:activity/change/20260820T0738569779880000/258683 | cas_match_labels | ef:agent/consensus_match | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v12 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v13 |
| ef:activity/change/20260820T0738569779880000/273642 | properties | ef:agent/opsin_iupac | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v13 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v14 |
| ef:activity/change/20260820T0738569779880000/280006 | properties | ef:agent/rdkit_post_consensus | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v14 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v15 |
| ef:activity/change/20260820T0738569779880000/286665 | properties | ef:agent/withhold_contradicted_composition | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v15 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v16 |
| ef:activity/change/20260820T0738569779880000/287406 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v16 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v17 |
| ef:activity/change/20260820T0738569779880000/343736 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v17 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v18 |
| ef:activity/change/20260820T0738569779880000/387919 | properties | ef:agent/normalise_property_values | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v18 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v19 |
| ef:activity/change/20260820T0738569779880000/394458 | types | ef:agent/link_flows_to_their_substance | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v19 | ef:flow/7f26d14b-268c-4e20-98ed-9d78a8deadd0/v20 |