1,3-dichloro-5-isocyanatobenzene
Everything that changed this flow. Back to the flow
d97aa246-da66-445b-93f5-98e359b1441e
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=1,3-dichloro-5-isocyanatobenzene||dimension=Environmental > media=Water > water_body=Long-term; cas=34893-92-0; added Common Chemistry CAS names as altLabel: 3,5-Dichloro-1-isocyanatobenzene, 3,5-Dichlorophenyl isocyanate, Benzene, 1,3-dichloro-5-isocyanato-; object_uuid=fo-93d27ef89990b641 |
| cas_match_labels | 1 | consensus_match | group_key=1,3-dichloro-5-isocyanatobenzene||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'34893-92-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93d27ef89990b641: {'34893-92-0': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['34893-92-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[94460, 97789]; selected_pubchem_cids=[94460]; 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 |
|---|---|---|---|---|---|
| 14,828 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-dichloro-5-isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 14,829 | bootstrap_labels | name | 1,3-dichloro-5-isocyanatobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 14,830 | bootstrap_labels | synonyms | ["organic","1,3-dichloro-5-isocyanatobenzene","3,5-dichlorphenyl-1-isocyanate","3.5-dichlorphenylisocyanate","benzene,1… | [] | Removed legacy synonyms field in favor of structured labels |
| 179,450 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 179,451 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,227 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,206 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,207 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,208 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.182E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['34893-92-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[94460, 97789]; selected_pubchem_cids=[94460]; 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 |
| 252,356 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | rdkit_pre_consensus from 'C1=C(C=C(C=C1Cl)Cl)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 258,550 | consensus_match | altLabel | [] | [{"@value":"3,5-Dichloro-1-isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=1,3-dichloro-5-isocyanatobenzene||dimension=Environmental > media=Water > water_body=Long-term; cas=34893-92-0; added Common Chemistry CAS names as altLabel: 3,5-Dichloro-1-isocyanatobenzene, 3,5-Dichlorophenyl isocyanate, Benzene, 1,3-dichloro-5-isocyanato-; object_uuid=fo-93d27ef89990b641 |
| 258,551 | consensus_match | cas_match_labels | — | {"34893-92-0":"exactMatch"} | group_key=1,3-dichloro-5-isocyanatobenzene||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'34893-92-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93d27ef89990b641: {'34893-92-0': 'exactMatch'} |
| 277,547 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-dichloro-5-isocyanatobenzene' |
| 284,240 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | rdkit_post_consensus from 'O=C=Nc1cc(Cl)cc(Cl)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 370,744 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d97aa246-da66-… | associations resolved on the elementary layer |
| 391,899 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl2NO"… | typed the way the ontology types it |
| 400,133 | 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/20260820T1812399309960000/14828 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v0 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v1 |
| ef:activity/change/20260820T1812399309960000/14829 | name | ef:agent/bootstrap_labels | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v1 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v2 |
| ef:activity/change/20260820T1812399309960000/14830 | synonyms | ef:agent/bootstrap_labels | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v2 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v3 |
| ef:activity/change/20260820T1812399309960000/179450 | context | ef:agent/default_context_mapping | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v3 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v4 |
| ef:activity/change/20260820T1812399309960000/179451 | context_iri | ef:agent/default_context_mapping | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v4 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v5 |
| ef:activity/change/20260820T1812399309960000/218227 | unit_iri | ef:agent/unit_normalization | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v5 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v6 |
| ef:activity/change/20260820T1812399309960000/241206 | properties | ef:agent/enrich_references | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v6 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v7 |
| ef:activity/change/20260820T1812399309960000/241207 | skos_definition | ef:agent/enrich_references | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v7 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v8 |
| ef:activity/change/20260820T1812399309960000/241208 | references | ef:agent/enrich_references | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v8 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v9 |
| ef:activity/change/20260820T1812399309960000/252356 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v9 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v10 |
| ef:activity/change/20260820T1812399309960000/258550 | altLabel | ef:agent/consensus_match | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v10 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v11 |
| ef:activity/change/20260820T1812399309960000/258551 | cas_match_labels | ef:agent/consensus_match | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v11 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v12 |
| ef:activity/change/20260820T1812399309960000/277547 | properties | ef:agent/opsin_iupac | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v12 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v13 |
| ef:activity/change/20260820T1812399309960000/284240 | properties | ef:agent/rdkit_post_consensus | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v13 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v14 |
| ef:activity/change/20260820T1812399309960000/370744 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v14 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v15 |
| ef:activity/change/20260820T1812399309960000/391899 | properties | ef:agent/normalise_property_values | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v15 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v16 |
| ef:activity/change/20260820T1812399309960000/400133 | types | ef:agent/link_flows_to_their_substance | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v16 | ef:flow/d97aa246-da66-445b-93f5-98e359b1441e/v17 |