(2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol (1r)-10-camphorsulphonate
Everything that changed this flow. Back to the flow
a6fcae48-1029-4259-b53a-5422c0480a0b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, link_flows_to_their_substance, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=(2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol(1r)-10-camphorsulphonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'188416-34-4': []}; assigned CAS labels from group consensus; object_uuid=fo-95fb6210867000bd: {'188416-34-4': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['188416-34-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[23658063]; selected_pubchem_cids=[23658063]; 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 |
|---|---|---|---|---|---|
| 16,025 | bootstrap_labels | prefLabel | — | [{"@value":"(2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol (1r)-10-cam… | Bootstrapped prefLabel from legacy name field |
| 16,026 | bootstrap_labels | name | (2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol (1r)-10-camphorsulphona… | — | Purged legacy name field to enforce prefLabel usage |
| 16,027 | bootstrap_labels | synonyms | ["organic","(2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol(1r)-10-camp… | [] | Removed legacy synonyms field in favor of structured labels |
| 149,084 | 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 |
| 149,085 | 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 |
| 218,609 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,274 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,275 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,276 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.132.738","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['188416-34-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[23658063]; selected_pubchem_cids=[23658063]; 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 |
| 252,675 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | rdkit_pre_consensus from 'CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 257,664 | consensus_match | altLabel | [] | [{"@value":"4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-, (<… | group_key=(2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol(1r)-10-camphorsulphonate||dimension=Environmental > media=Water > water_body=Surface water; cas=188416-34-4; added Common Chemistry CAS names as altLabel: 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-, (<em>R</em>*,<em>S</em>*)-, mono[(1<em>R</em>)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate] (salt), Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1<em>R</em>)-, compd. with (<em>R</em>*,<em>S</em>*)-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (1:1), Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1<em>R</em>,4<em>S</em>)-, compd. with <em>rel</em>-(α<em>R</em>,β<em>S</em>)-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (1:1); object_uuid=fo-95fb6210867000bd |
| 257,665 | consensus_match | cas_match_labels | — | {"188416-34-4":"exactMatch"} | group_key=(2rs,3sr)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol(1r)-10-camphorsulphonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'188416-34-4': []}; assigned CAS labels from group consensus; object_uuid=fo-95fb6210867000bd: {'188416-34-4': 'exactMatch'} |
| 284,605 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | rdkit_post_consensus from 'CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,880 | dedupe_altlabels | altLabel | [{"@value":"4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-, (<… | [{"@value":"4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,S*)-, m… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,584 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a6fcae48-1029-… | associations resolved on the elementary layer |
| 392,253 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | typed the way the ontology types it |
| 400,613 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 400,614 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H30F3N5… | 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/20260820T0738569779880000/16025 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v0 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v1 |
| ef:activity/change/20260820T0738569779880000/16026 | name | ef:agent/bootstrap_labels | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v1 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v2 |
| ef:activity/change/20260820T0738569779880000/16027 | synonyms | ef:agent/bootstrap_labels | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v2 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v3 |
| ef:activity/change/20260820T0738569779880000/149084 | context | ef:agent/default_context_mapping | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v3 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v4 |
| ef:activity/change/20260820T0738569779880000/149085 | context_iri | ef:agent/default_context_mapping | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v4 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v5 |
| ef:activity/change/20260820T0738569779880000/218609 | unit_iri | ef:agent/unit_normalization | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v5 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v6 |
| ef:activity/change/20260820T0738569779880000/242274 | properties | ef:agent/enrich_references | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v6 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v7 |
| ef:activity/change/20260820T0738569779880000/242275 | skos_definition | ef:agent/enrich_references | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v7 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v8 |
| ef:activity/change/20260820T0738569779880000/242276 | references | ef:agent/enrich_references | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v8 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v9 |
| ef:activity/change/20260820T0738569779880000/252675 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v9 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v10 |
| ef:activity/change/20260820T0738569779880000/257664 | altLabel | ef:agent/consensus_match | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v10 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v11 |
| ef:activity/change/20260820T0738569779880000/257665 | cas_match_labels | ef:agent/consensus_match | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v11 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v12 |
| ef:activity/change/20260820T0738569779880000/284605 | properties | ef:agent/rdkit_post_consensus | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v12 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v13 |
| ef:activity/change/20260820T0738569779880000/292880 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v13 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v14 |
| ef:activity/change/20260820T0738569779880000/355584 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v14 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v15 |
| ef:activity/change/20260820T0738569779880000/392253 | properties | ef:agent/normalise_property_values | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v15 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v16 |
| ef:activity/change/20260820T0738569779880000/400613 | types | ef:agent/link_flows_to_their_substance | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v16 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v17 |
| ef:activity/change/20260820T0738569779880000/400614 | properties | ef:agent/link_flows_to_their_substance | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v17 | ef:flow/a6fcae48-1029-4259-b53a-5422c0480a0b/v18 |