Acetyl Chloride
Everything that changed this flow. Back to the flow
89937b94-edc8-46a3-adba-a5780d290a49
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 | chebi_altlabels | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| cas_match_labels | 1 | consensus_match | group_key=acetylchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-36-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d803e0078897f276: {'75-36-5': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-36-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_37580']; candidate_pubchem_cids=[6367]; selected_pubchem_cids=[6367]; 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 |
|---|---|---|---|---|---|
| 12,139 | bootstrap_labels | prefLabel | — | [{"@value":"acetyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 12,140 | bootstrap_labels | name | acetyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 19,308 | bootstrap_labels | synonyms | ["A0082","AB1003485","AC1L1MDC","AC1Q1R2V","AC1Q3G3K","ACETIC ACID,CHLORIDE","AKOS000121189","Acetic acid chloride","Ac… | [] | Removed legacy synonyms field in favor of structured labels |
| 131,518 | 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) |
| 131,519 | 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) |
| 217,359 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,902 | normalize_name_case | prefLabel | [{"@value":"acetyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Acetyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,718 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,719 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,720 | enrich_references | references | [] | [{"@id":"beilstein:605303","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['75-36-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_37580']; candidate_pubchem_cids=[6367]; selected_pubchem_cids=[6367]; 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 |
| 251,633 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | rdkit_pre_consensus from 'CC(=O)Cl'; added: monoisotopic_mass |
| 256,047 | chebi_altlabels | altLabel | [] | [{"@value":"CH3-CO-Cl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,525 | consensus_match | cas_match_labels | — | {"75-36-5":"exactMatch"} | group_key=acetylchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-36-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d803e0078897f276: {'75-36-5': 'exactMatch'} |
| 276,811 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Acetyl Chloride' |
| 283,455 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | rdkit_post_consensus from 'CC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 346,759 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/89937b94-edc8-… | associations resolved on the elementary layer |
| 391,170 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClO"],… | typed the way the ontology types it |
| 399,091 | 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/20260821T1302361922970000/12139 | prefLabel | ef:agent/bootstrap_labels | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v0 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v1 |
| ef:activity/change/20260821T1302361922970000/12140 | name | ef:agent/bootstrap_labels | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v1 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v2 |
| ef:activity/change/20260821T1302361922970000/19308 | synonyms | ef:agent/bootstrap_labels | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v2 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v3 |
| ef:activity/change/20260821T1302361922970000/131518 | context | ef:agent/default_context_mapping | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v3 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v4 |
| ef:activity/change/20260821T1302361922970000/131519 | context_iri | ef:agent/default_context_mapping | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v4 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v5 |
| ef:activity/change/20260821T1302361922970000/217359 | unit_iri | ef:agent/unit_normalization | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v5 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v6 |
| ef:activity/change/20260821T1302361922970000/223902 | prefLabel | ef:agent/normalize_name_case | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v6 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v7 |
| ef:activity/change/20260821T1302361922970000/238718 | properties | ef:agent/enrich_references | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v7 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v8 |
| ef:activity/change/20260821T1302361922970000/238719 | skos_definition | ef:agent/enrich_references | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v8 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v9 |
| ef:activity/change/20260821T1302361922970000/238720 | references | ef:agent/enrich_references | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v9 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v10 |
| ef:activity/change/20260821T1302361922970000/251633 | properties | ef:agent/rdkit_pre_consensus | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v10 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v11 |
| ef:activity/change/20260821T1302361922970000/256047 | altLabel | ef:agent/chebi_altlabels | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v11 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v12 |
| ef:activity/change/20260821T1302361922970000/263525 | cas_match_labels | ef:agent/consensus_match | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v12 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v13 |
| ef:activity/change/20260821T1302361922970000/276811 | properties | ef:agent/opsin_iupac | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v13 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v14 |
| ef:activity/change/20260821T1302361922970000/283455 | properties | ef:agent/rdkit_post_consensus | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v14 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v15 |
| ef:activity/change/20260821T1302361922970000/346759 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v15 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v16 |
| ef:activity/change/20260821T1302361922970000/391170 | properties | ef:agent/normalise_property_values | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v16 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v17 |
| ef:activity/change/20260821T1302361922970000/399091 | types | ef:agent/link_flows_to_their_substance | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v17 | ef:flow/89937b94-edc8-46a3-adba-a5780d290a49/v18 |