2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Everything that changed this flow. Back to the flow
57eae882-991e-47e3-b0fe-03da7377485d
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 2 catalogue altLabel value(s): 'NSC 111184' (registry code), 'NSC 230466' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6674-22-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-826ad8e14167c0dd: {'6674-22-2': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['6674-22-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[81184, 567415]; selected_pubchem_cids=[81184]; 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 |
|---|---|---|---|---|---|
| 1,179 | bootstrap_labels | prefLabel | — | [{"@value":"2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Bootstrapped prefLabel from legacy name field |
| 1,180 | bootstrap_labels | name | 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine | — | Purged legacy name field to enforce prefLabel usage |
| 1,181 | bootstrap_labels | synonyms | ["organic","1,8-diazabicyclo[5.4.0]undec-7-ene","dbu","vulcanizationaccelerator"] | [] | Removed legacy synonyms field in favor of structured labels |
| 102,042 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 102,043 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 213,734 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,314 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,315 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,316 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.656G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['6674-22-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[81184, 567415]; selected_pubchem_cids=[81184]; 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 |
| 248,647 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | rdkit_pre_consensus from 'C1CCC2=NCCCN2CC1'; added: molecular_mass, monoisotopic_mass |
| 259,725 | consensus_match | altLabel | [] | [{"@value":"1,8-Diaza-7-bicyclo[5.4.0]undecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine||dimension=Environmental > media=Water > water_body=Unknown; cas=6674-22-2; added Common Chemistry CAS names as altLabel: 1,8-Diaza-7-bicyclo[5.4.0]undecene, 1,8-Diazabicyclo[5.4.0]undec-7-ene, 1,8-Diazabicyclo[5.4.0]undeca-7-ene, 1,8-Diazabicyclo[5.4.0]undecene-7, 1,8-Diazabicycloundec-7-ene, 2<em>H</em>,3<em>H</em>,4<em>H</em>,6<em>H</em>,7<em>H</em>,8<em>H</em>,9<em>H</em>,10<em>H</em>-Pyrimido[1,2-<em>a</em>]azepine, Active D 10, Alcanpoudre DBU 70-3KG, Amicure DBUE, DBU, Dabco DBU, Diazabicyclo[5.4.0]undec-7-ene, Lupragen N 700, NSC 111184, NSC 230466, PC CAT DBU, Polycat DBU, Purecat TX 1, Pyrimido[1,2-<em>a</em>]azepine, 2,3,4,6,7,8,9,10-octahydro-; object_uuid=fo-826ad8e14167c0dd |
| 259,726 | consensus_match | cas_match_labels | — | {"6674-22-2":"exactMatch"} | group_key=2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6674-22-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-826ad8e14167c0dd: {'6674-22-2': 'exactMatch'} |
| 273,787 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine' |
| 280,166 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | rdkit_post_consensus from 'C1CCC2=NCCCN2CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,514 | strip_catalogue_altlabels | altLabel | [{"@value":"1,8-Diaza-7-bicyclo[5.4.0]undecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"1,8-Diaza-7-bicyclo[5.4.0]undecene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Removed 2 catalogue altLabel value(s): 'NSC 111184' (registry code), 'NSC 230466' (registry code) |
| 332,040 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/57eae882-991e-… | associations resolved on the elementary layer |
| 388,068 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16N2"],… | typed the way the ontology types it |
| 394,659 | 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/20260820T1555490862250000/1179 | prefLabel | ef:agent/bootstrap_labels | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v0 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v1 |
| ef:activity/change/20260820T1555490862250000/1180 | name | ef:agent/bootstrap_labels | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v1 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v2 |
| ef:activity/change/20260820T1555490862250000/1181 | synonyms | ef:agent/bootstrap_labels | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v2 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v3 |
| ef:activity/change/20260820T1555490862250000/102042 | context | ef:agent/default_context_mapping | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v3 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v4 |
| ef:activity/change/20260820T1555490862250000/102043 | context_iri | ef:agent/default_context_mapping | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v4 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v5 |
| ef:activity/change/20260820T1555490862250000/213734 | unit_iri | ef:agent/unit_normalization | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v5 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v6 |
| ef:activity/change/20260820T1555490862250000/228314 | properties | ef:agent/enrich_references | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v6 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v7 |
| ef:activity/change/20260820T1555490862250000/228315 | skos_definition | ef:agent/enrich_references | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v7 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v8 |
| ef:activity/change/20260820T1555490862250000/228316 | references | ef:agent/enrich_references | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v8 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v9 |
| ef:activity/change/20260820T1555490862250000/248647 | properties | ef:agent/rdkit_pre_consensus | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v9 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v10 |
| ef:activity/change/20260820T1555490862250000/259725 | altLabel | ef:agent/consensus_match | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v10 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v11 |
| ef:activity/change/20260820T1555490862250000/259726 | cas_match_labels | ef:agent/consensus_match | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v11 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v12 |
| ef:activity/change/20260820T1555490862250000/273787 | properties | ef:agent/opsin_iupac | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v12 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v13 |
| ef:activity/change/20260820T1555490862250000/280166 | properties | ef:agent/rdkit_post_consensus | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v13 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v14 |
| ef:activity/change/20260820T1555490862250000/287514 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v14 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v15 |
| ef:activity/change/20260820T1555490862250000/332040 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v15 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v16 |
| ef:activity/change/20260820T1555490862250000/388068 | properties | ef:agent/normalise_property_values | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v16 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v17 |
| ef:activity/change/20260820T1555490862250000/394659 | types | ef:agent/link_flows_to_their_substance | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v17 | ef:flow/57eae882-991e-47e3-b0fe-03da7377485d/v18 |