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 substance, across every flow that resolves to it. Back to the substance
fo-e2b80bb905a38e56
Changes
55| # | 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 |
| 29,612 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 29,613 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 69,478 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 69,479 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 71,092 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 71,093 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 81,590 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 81,591 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 132,678 | 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 |
| 132,679 | 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 |
| 136,366 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 136,367 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 141,070 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 141,071 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 148,106 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 148,107 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 153,852 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 153,853 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 164,312 | 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 |
| 164,313 | 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 |
| 180,568 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 180,569 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 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 |
| 201,462 | 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 |
| 201,463 | 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 |
| 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 |
| 260,880 | 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 |
| 260,881 | 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'} |
| 274,600 | 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' |
| 281,052 | 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 |
| 286,796 | 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 |
| 292,189 | 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 |
| 295,843 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/04c3b398-2fc2-… | associations resolved on the elementary layer |
| 315,754 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/31978ec5-b382-… | associations resolved on the elementary layer |
| 316,561 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3328616f-f178-… | associations resolved on the elementary layer |
| 321,807 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/43a7d7d1-001d-… | associations resolved on the elementary layer |
| 347,332 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8b5877ce-693e-… | associations resolved on the elementary layer |
| 349,177 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/91c87c32-1bd4-… | associations resolved on the elementary layer |
| 351,534 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/99a3f32e-8184-… | associations resolved on the elementary layer |
| 355,073 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a52656d4-d498-… | associations resolved on the elementary layer |
| 357,947 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aef9c89e-7ce1-… | associations resolved on the elementary layer |