Chloroacetonitrile
Everything that changed this flow. Back to the flow
7ffb5815-6e29-4feb-a3fc-38e7f31a28ed
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 6180' (registry code) |
| 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=chloroacetonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-14-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-742586ebb59ad5bb: {'107-14-2': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['107-14-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82416']; candidate_pubchem_cids=[7856, 14821739]; selected_pubchem_cids=[7856]; 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 |
|---|---|---|---|---|---|
| 4,242 | bootstrap_labels | prefLabel | — | [{"@value":"chloroacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 4,243 | bootstrap_labels | name | chloroacetonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 14,685 | bootstrap_labels | synonyms | [".alpha.-Chloroacetonitrile","2-Chloroacetonitrile","AC1L1PPI","AC1Q28JN","ACETIC ACID,CHLORO,NITRILE","AKOS000118818"… | [] | Removed legacy synonyms field in favor of structured labels |
| 125,884 | 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 |
| 125,885 | 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 |
| 214,756 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,071 | normalize_name_case | prefLabel | [{"@value":"chloroacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Chloroacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,261 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,262 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,263 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.056H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['107-14-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82416']; candidate_pubchem_cids=[7856, 14821739]; selected_pubchem_cids=[7856]; 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 |
| 249,491 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | rdkit_pre_consensus from 'C(C#N)Cl'; added: monoisotopic_mass |
| 265,065 | consensus_match | altLabel | [] | [{"@value":"2-Chloroacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | group_key=chloroacetonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=107-14-2; added Common Chemistry CAS names as altLabel: 2-Chloroacetonitrile, Acetonitrile, 2-chloro-, Acetonitrile, chloro-, Chloracetonitrile, Chloromethyl cyanide, Cyanomethyl chloride, Monochloroacetonitrile, NSC 6180, α-Chloroacetonitrile; object_uuid=fo-742586ebb59ad5bb |
| 265,066 | consensus_match | cas_match_labels | — | {"107-14-2":"exactMatch"} | group_key=chloroacetonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-14-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-742586ebb59ad5bb: {'107-14-2': 'exactMatch'} |
| 274,624 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Chloroacetonitrile' |
| 281,078 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | rdkit_post_consensus from 'N#CCCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,116 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Chloroacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | [{"@value":"2-Chloroacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | Removed 1 catalogue altLabel value(s): 'NSC 6180' (registry code) |
| 343,944 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7ffb5815-6e29-… | associations resolved on the elementary layer |
| 388,929 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClN"],… | typed the way the ontology types it |
| 395,872 | 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/20260821T1554374006150000/4242 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v0 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v1 |
| ef:activity/change/20260821T1554374006150000/4243 | name | ef:agent/bootstrap_labels | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v1 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v2 |
| ef:activity/change/20260821T1554374006150000/14685 | synonyms | ef:agent/bootstrap_labels | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v2 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v3 |
| ef:activity/change/20260821T1554374006150000/125884 | context | ef:agent/default_context_mapping | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v3 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v4 |
| ef:activity/change/20260821T1554374006150000/125885 | context_iri | ef:agent/default_context_mapping | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v4 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v5 |
| ef:activity/change/20260821T1554374006150000/214756 | unit_iri | ef:agent/unit_normalization | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v5 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v6 |
| ef:activity/change/20260821T1554374006150000/222071 | prefLabel | ef:agent/normalize_name_case | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v6 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v7 |
| ef:activity/change/20260821T1554374006150000/231261 | properties | ef:agent/enrich_references | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v7 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v8 |
| ef:activity/change/20260821T1554374006150000/231262 | skos_definition | ef:agent/enrich_references | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v8 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v9 |
| ef:activity/change/20260821T1554374006150000/231263 | references | ef:agent/enrich_references | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v9 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v10 |
| ef:activity/change/20260821T1554374006150000/249491 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v10 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v11 |
| ef:activity/change/20260821T1554374006150000/265065 | altLabel | ef:agent/consensus_match | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v11 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v12 |
| ef:activity/change/20260821T1554374006150000/265066 | cas_match_labels | ef:agent/consensus_match | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v12 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v13 |
| ef:activity/change/20260821T1554374006150000/274624 | properties | ef:agent/opsin_iupac | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v13 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v14 |
| ef:activity/change/20260821T1554374006150000/281078 | properties | ef:agent/rdkit_post_consensus | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v14 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v15 |
| ef:activity/change/20260821T1554374006150000/288116 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v15 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v16 |
| ef:activity/change/20260821T1554374006150000/343944 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v16 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v17 |
| ef:activity/change/20260821T1554374006150000/388929 | properties | ef:agent/normalise_property_values | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v17 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v18 |
| ef:activity/change/20260821T1554374006150000/395872 | types | ef:agent/link_flows_to_their_substance | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v18 | ef:flow/7ffb5815-6e29-4feb-a3fc-38e7f31a28ed/v19 |