(2,3-dichlorophenyl)(oxo)acetonitrile
Everything that changed this flow. Back to the flow
09c8377a-0c6a-40a6-8494-d85b49463d3a
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 | 1 | consensus_match | group_key=(2,3-dichlorophenyl)(oxo)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=77668-42-9; added Common Chemistry CAS names as altLabel: 2,3-Dichloro-α-oxobenzeneacetonitrile, 2,3-Dichlorobenzoyl cyanide, 2,3-Dichlorobenzoyl nitrile, 2-(2,3-Dichlorophenyl)-2-oxoacetonitrile, Benzeneacetonitrile, 2,3-dichloro-α-oxo-; object_uuid=fo-a28403e0b591202a |
| cas_match_labels | 1 | consensus_match | group_key=(2,3-dichlorophenyl)(oxo)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'77668-42-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a28403e0b591202a: {'77668-42-9': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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=['77668-42-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[2735968, 13104924, 91927631]; selected_pubchem_cids=[2735968]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,757 | bootstrap_labels | prefLabel | — | [{"@value":"(2,3-dichlorophenyl)(oxo)acetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 9,758 | bootstrap_labels | name | (2,3-dichlorophenyl)(oxo)acetonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 9,759 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 42,372 | 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 |
| 42,373 | 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 |
| 216,587 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,508 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,509 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,510 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J309.426J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['77668-42-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[2735968, 13104924, 91927631]; selected_pubchem_cids=[2735968]; 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 |
| 251,003 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | rdkit_pre_consensus from 'C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N'; added: molecular_mass, monoisotopic_mass |
| 257,616 | consensus_match | altLabel | [] | [{"@value":"2,3-Dichloro-α-oxobenzeneacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=(2,3-dichlorophenyl)(oxo)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=77668-42-9; added Common Chemistry CAS names as altLabel: 2,3-Dichloro-α-oxobenzeneacetonitrile, 2,3-Dichlorobenzoyl cyanide, 2,3-Dichlorobenzoyl nitrile, 2-(2,3-Dichlorophenyl)-2-oxoacetonitrile, Benzeneacetonitrile, 2,3-dichloro-α-oxo-; object_uuid=fo-a28403e0b591202a |
| 257,617 | consensus_match | cas_match_labels | — | {"77668-42-9":"exactMatch"} | group_key=(2,3-dichlorophenyl)(oxo)acetonitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'77668-42-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a28403e0b591202a: {'77668-42-9': 'exactMatch'} |
| 276,204 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2,3-dichlorophenyl)(oxo)acetonitrile' |
| 282,785 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | rdkit_post_consensus from 'N#CC(=O)c1cccc(Cl)c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 302,231 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/09c8377a-0c6a-… | associations resolved on the elementary layer |
| 390,550 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H3Cl2NO"… | typed the way the ontology types it |
| 398,198 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T0738569779880000/9757 | prefLabel | ef:agent/bootstrap_labels | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v0 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v1 |
| ef:activity/change/20260820T0738569779880000/9758 | name | ef:agent/bootstrap_labels | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v1 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v2 |
| ef:activity/change/20260820T0738569779880000/9759 | synonyms | ef:agent/bootstrap_labels | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v2 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v3 |
| ef:activity/change/20260820T0738569779880000/42372 | context | ef:agent/default_context_mapping | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v3 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v4 |
| ef:activity/change/20260820T0738569779880000/42373 | context_iri | ef:agent/default_context_mapping | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v4 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v5 |
| ef:activity/change/20260820T0738569779880000/216587 | unit_iri | ef:agent/unit_normalization | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v5 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v6 |
| ef:activity/change/20260820T0738569779880000/236508 | properties | ef:agent/enrich_references | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v6 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v7 |
| ef:activity/change/20260820T0738569779880000/236509 | skos_definition | ef:agent/enrich_references | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v7 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v8 |
| ef:activity/change/20260820T0738569779880000/236510 | references | ef:agent/enrich_references | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v8 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v9 |
| ef:activity/change/20260820T0738569779880000/251003 | properties | ef:agent/rdkit_pre_consensus | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v9 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v10 |
| ef:activity/change/20260820T0738569779880000/257616 | altLabel | ef:agent/consensus_match | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v10 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v11 |
| ef:activity/change/20260820T0738569779880000/257617 | cas_match_labels | ef:agent/consensus_match | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v11 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v12 |
| ef:activity/change/20260820T0738569779880000/276204 | properties | ef:agent/opsin_iupac | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v12 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v13 |
| ef:activity/change/20260820T0738569779880000/282785 | properties | ef:agent/rdkit_post_consensus | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v13 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v14 |
| ef:activity/change/20260820T0738569779880000/302231 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v14 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v15 |
| ef:activity/change/20260820T0738569779880000/390550 | properties | ef:agent/normalise_property_values | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v15 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v16 |
| ef:activity/change/20260820T0738569779880000/398198 | types | ef:agent/link_flows_to_their_substance | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v16 | ef:flow/09c8377a-0c6a-40a6-8494-d85b49463d3a/v17 |