2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester
Everything that changed this flow. Back to the flow
ddad2702-b50a-441d-bf96-919081886189
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'379268-96-9': []}; assigned CAS labels from group consensus; object_uuid=fo-e2b80bb905a38e56: {'379268-96-9': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['379268-96-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[58800829]; selected_pubchem_cids=[58800829]; 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 |
|---|---|---|---|---|---|
| 4,163 | bootstrap_labels | prefLabel | — | [{"@value":"2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] m… | Bootstrapped prefLabel from legacy name field |
| 4,164 | bootstrap_labels | name | 2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester | — | Purged legacy name field to enforce prefLabel usage |
| 4,165 | bootstrap_labels | synonyms | ["organic","2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methyles… | [] | Removed legacy synonyms field in favor of structured labels |
| 181,890 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 181,891 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 214,730 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,054 | normalize_name_case | prefLabel | [{"@value":"2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] m… | [{"@value":"2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] M… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,185 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,186 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,187 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.055.092I","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['379268-96-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[58800829]; selected_pubchem_cids=[58800829]; 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 |
| 249,468 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | rdkit_pre_consensus from 'CCCCCCCCC(CCCCCC)C(=O)OCC(=O)NC1=CC=C(C=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl'; added: molecular_mass, monoisotopic_mass |
| 260,882 | consensus_match | altLabel | [] | [{"@value":"2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]… | group_key=2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester||dimension=Environmental > media=Water > water_body=Surface water; cas=379268-96-9; added Common Chemistry CAS names as altLabel: 2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate, Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester, Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester; object_uuid=fo-e2b80bb905a38e56 |
| 260,883 | consensus_match | cas_match_labels | — | {"379268-96-9":"exactMatch"} | group_key=2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'379268-96-9': []}; assigned CAS labels from group consensus; object_uuid=fo-e2b80bb905a38e56: {'379268-96-9': 'exactMatch'} |
| 274,602 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate' |
| 281,054 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | rdkit_post_consensus from 'CCCCCCCCC(CCCCCC)C(=O)OCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,798 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H48ClN5… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,191 | dedupe_altlabels | altLabel | [{"@value":"2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]… | [{"@value":"2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexy… | Deduplicated altLabel values and removed entries matching prefLabel |
| 371,971 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ddad2702-b50a-… | associations resolved on the elementary layer |
| 395,840 | 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/20260821T1302361922970000/4163 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v0 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v1 |
| ef:activity/change/20260821T1302361922970000/4164 | name | ef:agent/bootstrap_labels | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v1 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v2 |
| ef:activity/change/20260821T1302361922970000/4165 | synonyms | ef:agent/bootstrap_labels | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v2 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v3 |
| ef:activity/change/20260821T1302361922970000/181890 | context | ef:agent/default_context_mapping | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v3 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v4 |
| ef:activity/change/20260821T1302361922970000/181891 | context_iri | ef:agent/default_context_mapping | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v4 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v5 |
| ef:activity/change/20260821T1302361922970000/214730 | unit_iri | ef:agent/unit_normalization | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v5 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v6 |
| ef:activity/change/20260821T1302361922970000/222054 | prefLabel | ef:agent/normalize_name_case | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v6 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v7 |
| ef:activity/change/20260821T1302361922970000/231185 | properties | ef:agent/enrich_references | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v7 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v8 |
| ef:activity/change/20260821T1302361922970000/231186 | skos_definition | ef:agent/enrich_references | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v8 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v9 |
| ef:activity/change/20260821T1302361922970000/231187 | references | ef:agent/enrich_references | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v9 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v10 |
| ef:activity/change/20260821T1302361922970000/249468 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v10 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v11 |
| ef:activity/change/20260821T1302361922970000/260882 | altLabel | ef:agent/consensus_match | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v11 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v12 |
| ef:activity/change/20260821T1302361922970000/260883 | cas_match_labels | ef:agent/consensus_match | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v12 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v13 |
| ef:activity/change/20260821T1302361922970000/274602 | properties | ef:agent/opsin_iupac | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v13 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v14 |
| ef:activity/change/20260821T1302361922970000/281054 | properties | ef:agent/rdkit_post_consensus | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v14 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v15 |
| ef:activity/change/20260821T1302361922970000/286798 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v15 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v16 |
| ef:activity/change/20260821T1302361922970000/292191 | altLabel | ef:agent/dedupe_altlabels | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v16 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v17 |
| ef:activity/change/20260821T1302361922970000/371971 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v17 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v18 |
| ef:activity/change/20260821T1302361922970000/395840 | types | ef:agent/link_flows_to_their_substance | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v18 | ef:flow/ddad2702-b50a-441d-bf96-919081886189/v19 |