5-nitrobenzotriazole
Everything that changed this flow. Back to the flow
1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb
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 3132' (registry code), 'NSC 66476' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=5-nitrobenzotriazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2338-12-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d0e902be5e8b324f: {'2338-12-7': '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 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=['2338-12-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[61301]; selected_pubchem_cids=[61301]; 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 |
|---|---|---|---|---|---|
| 17,977 | bootstrap_labels | prefLabel | — | [{"@value":"5-nitrobenzotriazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 17,978 | bootstrap_labels | name | 5-nitrobenzotriazole | — | Purged legacy name field to enforce prefLabel usage |
| 17,979 | bootstrap_labels | synonyms | ["5-nitrobenzotriazole","5-nitrobenzotriazole(wettedwithca.20%water,containing5gonadryweightbasis)","6-nitro-1h-1,2,3-b… | [] | Removed legacy synonyms field in favor of structured labels |
| 57,934 | 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 |
| 57,935 | 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 |
| 219,226 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,019 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,020 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,021 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.091K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2338-12-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[61301]; selected_pubchem_cids=[61301]; 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 |
| 253,169 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | rdkit_pre_consensus from 'C1=CC2=NNN=C2C=C1[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 263,142 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-Benzotriazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=5-nitrobenzotriazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2338-12-7; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Benzotriazole, 5-nitro-, 1<em>H</em>-Benzotriazole, 6-nitro-, 5-Nitro-1<em>H</em>-benzo[<em>d</em>][1,2,3]triazole, 5-Nitro-1<em>H</em>-benzotriazole, 6-Nitro-1<em>H</em>-benzotriazole, 6-Nitrobenzotriazole, Benzotriazole, 5-nitro-, NSC 3132, NSC 66476, Verzone N-BTA; object_uuid=fo-d0e902be5e8b324f |
| 263,143 | consensus_match | cas_match_labels | — | {"2338-12-7":"exactMatch"} | group_key=5-nitrobenzotriazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2338-12-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d0e902be5e8b324f: {'2338-12-7': 'exactMatch'} |
| 278,375 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-nitrobenzotriazole' |
| 285,133 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc2[nH]nnc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,882 | strip_catalogue_altlabels | altLabel | [{"@value":"1<em>H</em>-Benzotriazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"1H-Benzotriazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 2 catalogue altLabel value(s): 'NSC 3132' (registry code), 'NSC 66476' (registry code) |
| 309,989 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1f9692f1-d784-… | associations resolved on the elementary layer |
| 392,740 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N4O2"]… | typed the way the ontology types it |
| 401,352 | 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/20260821T1554374006150000/17977 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v0 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v1 |
| ef:activity/change/20260821T1554374006150000/17978 | name | ef:agent/bootstrap_labels | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v1 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v2 |
| ef:activity/change/20260821T1554374006150000/17979 | synonyms | ef:agent/bootstrap_labels | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v2 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v3 |
| ef:activity/change/20260821T1554374006150000/57934 | context | ef:agent/default_context_mapping | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v3 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v4 |
| ef:activity/change/20260821T1554374006150000/57935 | context_iri | ef:agent/default_context_mapping | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v4 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v5 |
| ef:activity/change/20260821T1554374006150000/219226 | unit_iri | ef:agent/unit_normalization | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v5 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v6 |
| ef:activity/change/20260821T1554374006150000/244019 | properties | ef:agent/enrich_references | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v6 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v7 |
| ef:activity/change/20260821T1554374006150000/244020 | skos_definition | ef:agent/enrich_references | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v7 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v8 |
| ef:activity/change/20260821T1554374006150000/244021 | references | ef:agent/enrich_references | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v8 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v9 |
| ef:activity/change/20260821T1554374006150000/253169 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v9 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v10 |
| ef:activity/change/20260821T1554374006150000/263142 | altLabel | ef:agent/consensus_match | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v10 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v11 |
| ef:activity/change/20260821T1554374006150000/263143 | cas_match_labels | ef:agent/consensus_match | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v11 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v12 |
| ef:activity/change/20260821T1554374006150000/278375 | properties | ef:agent/opsin_iupac | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v12 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v13 |
| ef:activity/change/20260821T1554374006150000/285133 | properties | ef:agent/rdkit_post_consensus | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v13 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v14 |
| ef:activity/change/20260821T1554374006150000/290882 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v14 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v15 |
| ef:activity/change/20260821T1554374006150000/309989 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v15 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v16 |
| ef:activity/change/20260821T1554374006150000/392740 | properties | ef:agent/normalise_property_values | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v16 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v17 |
| ef:activity/change/20260821T1554374006150000/401352 | types | ef:agent/link_flows_to_their_substance | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v17 | ef:flow/1f9692f1-d784-477c-8e9a-3e0d9f5bd1cb/v18 |