1-(2-ethylbutyl)cyclohexanecarbonyl Chloride
Everything that changed this flow. Back to the flow
10d14bac-041d-4bc5-b7a5-1788eb9fc1cd
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=1-(2-ethylbutyl)cyclohexanecarbonylchloride||dimension=Environmental > media=Water > water_body=Long-term; cas=211515-46-7; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonyl chloride, 1-(2-ethylbutyl)-; object_uuid=fo-48cecd006e48e297 |
| cas_match_labels | 1 | consensus_match | group_key=1-(2-ethylbutyl)cyclohexanecarbonylchloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'211515-46-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48cecd006e48e297: {'211515-46-7': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['211515-46-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10657125]; selected_pubchem_cids=[10657125]; 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 |
|---|---|---|---|---|---|
| 5,199 | bootstrap_labels | prefLabel | — | [{"@value":"1-(2-ethylbutyl)cyclohexanecarbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 5,200 | bootstrap_labels | name | 1-(2-ethylbutyl)cyclohexanecarbonyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 5,201 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 47,298 | 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 |
| 47,299 | 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 |
| 215,076 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,292 | normalize_name_case | prefLabel | [{"@value":"1-(2-ethylbutyl)cyclohexanecarbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"1-(2-ethylbutyl)cyclohexanecarbonyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,179 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,180 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,181 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.115.417","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['211515-46-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10657125]; selected_pubchem_cids=[10657125]; 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 |
| 249,751 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | rdkit_pre_consensus from 'CCC(CC)CC1(CCCCC1)C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 258,814 | consensus_match | altLabel | [] | [{"@value":"Cyclohexanecarbonyl chloride, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=1-(2-ethylbutyl)cyclohexanecarbonylchloride||dimension=Environmental > media=Water > water_body=Long-term; cas=211515-46-7; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonyl chloride, 1-(2-ethylbutyl)-; object_uuid=fo-48cecd006e48e297 |
| 258,815 | consensus_match | cas_match_labels | — | {"211515-46-7":"exactMatch"} | group_key=1-(2-ethylbutyl)cyclohexanecarbonylchloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'211515-46-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-48cecd006e48e297: {'211515-46-7': 'exactMatch'} |
| 274,889 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(2-ethylbutyl)cyclohexanecarbonyl Chloride' |
| 281,359 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | rdkit_post_consensus from 'CCC(CC)CC1(C(=O)Cl)CCCCC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 304,669 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/10d14bac-041d-… | associations resolved on the elementary layer |
| 389,189 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO"… | typed the way the ontology types it |
| 396,234 | 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/20260820T1812399309960000/5199 | prefLabel | ef:agent/bootstrap_labels | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v0 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v1 |
| ef:activity/change/20260820T1812399309960000/5200 | name | ef:agent/bootstrap_labels | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v1 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v2 |
| ef:activity/change/20260820T1812399309960000/5201 | synonyms | ef:agent/bootstrap_labels | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v2 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v3 |
| ef:activity/change/20260820T1812399309960000/47298 | context | ef:agent/default_context_mapping | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v3 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v4 |
| ef:activity/change/20260820T1812399309960000/47299 | context_iri | ef:agent/default_context_mapping | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v4 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v5 |
| ef:activity/change/20260820T1812399309960000/215076 | unit_iri | ef:agent/unit_normalization | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v5 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v6 |
| ef:activity/change/20260820T1812399309960000/222292 | prefLabel | ef:agent/normalize_name_case | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v6 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v7 |
| ef:activity/change/20260820T1812399309960000/232179 | properties | ef:agent/enrich_references | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v7 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v8 |
| ef:activity/change/20260820T1812399309960000/232180 | skos_definition | ef:agent/enrich_references | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v8 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v9 |
| ef:activity/change/20260820T1812399309960000/232181 | references | ef:agent/enrich_references | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v9 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v10 |
| ef:activity/change/20260820T1812399309960000/249751 | properties | ef:agent/rdkit_pre_consensus | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v10 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v11 |
| ef:activity/change/20260820T1812399309960000/258814 | altLabel | ef:agent/consensus_match | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v11 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v12 |
| ef:activity/change/20260820T1812399309960000/258815 | cas_match_labels | ef:agent/consensus_match | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v12 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v13 |
| ef:activity/change/20260820T1812399309960000/274889 | properties | ef:agent/opsin_iupac | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v13 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v14 |
| ef:activity/change/20260820T1812399309960000/281359 | properties | ef:agent/rdkit_post_consensus | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v14 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v15 |
| ef:activity/change/20260820T1812399309960000/304669 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v15 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v16 |
| ef:activity/change/20260820T1812399309960000/389189 | properties | ef:agent/normalise_property_values | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v16 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v17 |
| ef:activity/change/20260820T1812399309960000/396234 | types | ef:agent/link_flows_to_their_substance | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v17 | ef:flow/10d14bac-041d-4bc5-b7a5-1788eb9fc1cd/v18 |