1,5-Naphthalene diisocyanate
Everything that changed this flow. Back to the flow
af8d1729-9480-4084-8863-a70a4e55247e
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 | 3 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 240728' (registry code), 'P 2075' (grade code), 'P 2075 (diisocyanate)' (grade code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=3173-72-6; cc_chebi_agreed_name='1,5-Naphthalene diisocyanate'; object_uuid=fo-dbce8aed6087cde4 |
| cas_match_labels | 1 | consensus_match | group_key=1,5-diisocyanatonaphthalene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3173-72-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbce8aed6087cde4: {'3173-72-6': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3173-72-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82496']; candidate_pubchem_cids=[18503, 247257, 302888, 55274462]; selected_pubchem_cids=[18503]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,461 | bootstrap_labels | prefLabel | — | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 9,462 | bootstrap_labels | name | 1,5-diisocyanatonaphthalene | — | Purged legacy name field to enforce prefLabel usage |
| 9,463 | bootstrap_labels | synonyms | ["organic","1,5-naphthylenediisocyanate","1,5-diisocyanatonaphthalene","1,5-naphthalenediisocyanate","desmodur15","isoc… | [] | Removed legacy synonyms field in favor of structured labels |
| 154,174 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 154,175 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 216,485 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,226 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,227 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,228 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.091H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3173-72-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82496']; candidate_pubchem_cids=[18503, 247257, 302888, 55274462]; selected_pubchem_cids=[18503]; 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 |
| 250,915 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | rdkit_pre_consensus from 'C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O'; added: monoisotopic_mass |
| 258,720 | consensus_match | prefLabel | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"1,5-Naphthalene diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | cas=3173-72-6; cc_chebi_agreed_name='1,5-Naphthalene diisocyanate'; object_uuid=fo-dbce8aed6087cde4 |
| 258,721 | consensus_match | altLabel | [] | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | cas=3173-72-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-dbce8aed6087cde4 |
| 258,722 | consensus_match | altLabel | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=1,5-diisocyanatonaphthalene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=3173-72-6; added Common Chemistry CAS names as altLabel: 1,5-NDI, 1,5-Naphthalenediol, diisocyanate, 1,5-Naphthyl diisocyanate, 1,5-Naphthylene diisocyanate, Isocyanic acid, 1,5-naphthylene ester, NDI, NSC 240728, Naphthalene, 1,5-diisocyanato-, Naphthalene-1,5-diyl diisocyanate, P 2075, P 2075 (diisocyanate); object_uuid=fo-dbce8aed6087cde4 |
| 258,723 | consensus_match | cas_match_labels | — | {"3173-72-6":"exactMatch"} | group_key=1,5-diisocyanatonaphthalene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3173-72-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbce8aed6087cde4: {'3173-72-6': 'exactMatch'} |
| 276,103 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,5-diisocyanatonaphthalene' |
| 282,672 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | rdkit_post_consensus from 'O=C=Nc1cccc2c(N=C=O)cccc12'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,229 | strip_catalogue_altlabels | altLabel | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"1,5-diisocyanatonaphthalene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Removed 3 catalogue altLabel value(s): 'NSC 240728' (registry code), 'P 2075' (grade code), 'P 2075 (diisocyanate)' (grade code) |
| 358,103 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/af8d1729-9480-… | associations resolved on the elementary layer |
| 390,441 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H6N2O2"… | typed the way the ontology types it |
| 398,053 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T1812399309960000/9461 | prefLabel | ef:agent/bootstrap_labels | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v0 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v1 |
| ef:activity/change/20260820T1812399309960000/9462 | name | ef:agent/bootstrap_labels | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v1 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v2 |
| ef:activity/change/20260820T1812399309960000/9463 | synonyms | ef:agent/bootstrap_labels | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v2 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v3 |
| ef:activity/change/20260820T1812399309960000/154174 | context | ef:agent/default_context_mapping | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v3 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v4 |
| ef:activity/change/20260820T1812399309960000/154175 | context_iri | ef:agent/default_context_mapping | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v4 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v5 |
| ef:activity/change/20260820T1812399309960000/216485 | unit_iri | ef:agent/unit_normalization | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v5 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v6 |
| ef:activity/change/20260820T1812399309960000/236226 | properties | ef:agent/enrich_references | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v6 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v7 |
| ef:activity/change/20260820T1812399309960000/236227 | skos_definition | ef:agent/enrich_references | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v7 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v8 |
| ef:activity/change/20260820T1812399309960000/236228 | references | ef:agent/enrich_references | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v8 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v9 |
| ef:activity/change/20260820T1812399309960000/250915 | properties | ef:agent/rdkit_pre_consensus | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v9 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v10 |
| ef:activity/change/20260820T1812399309960000/258720 | prefLabel | ef:agent/consensus_match | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v10 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v11 |
| ef:activity/change/20260820T1812399309960000/258721 | altLabel | ef:agent/consensus_match | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v11 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v12 |
| ef:activity/change/20260820T1812399309960000/258722 | altLabel | ef:agent/consensus_match | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v12 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v13 |
| ef:activity/change/20260820T1812399309960000/258723 | cas_match_labels | ef:agent/consensus_match | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v13 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v14 |
| ef:activity/change/20260820T1812399309960000/276103 | properties | ef:agent/opsin_iupac | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v14 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v15 |
| ef:activity/change/20260820T1812399309960000/282672 | properties | ef:agent/rdkit_post_consensus | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v15 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v16 |
| ef:activity/change/20260820T1812399309960000/289229 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v16 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v17 |
| ef:activity/change/20260820T1812399309960000/358103 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v17 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v18 |
| ef:activity/change/20260820T1812399309960000/390441 | properties | ef:agent/normalise_property_values | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v18 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v19 |
| ef:activity/change/20260820T1812399309960000/398053 | types | ef:agent/link_flows_to_their_substance | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v19 | ef:flow/af8d1729-9480-4084-8863-a70a4e55247e/v20 |