1-chloro-4-isocyanatobenzene
Everything that changed this flow. Back to the flow
06741a54-4eb1-48db-9dd5-cf386f5a701c
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 76589' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-chloro-4-isocyanatobenzene||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'104-12-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e1b0076ac94662c: {'104-12-1': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 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=['104-12-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[7693, 70718]; selected_pubchem_cids=[7693]; 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 |
|---|---|---|---|---|---|
| 5,280 | bootstrap_labels | prefLabel | — | [{"@value":"1-chloro-4-isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 5,281 | bootstrap_labels | name | 1-chloro-4-isocyanatobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 5,282 | bootstrap_labels | synonyms | ["organic","4-chlorophenylisocyanate","1-chloro-4-isocyanato-benzene","1-isocyanato-4-chlorbenzol","4-chlorphenylisocya… | [] | Removed legacy synonyms field in favor of structured labels |
| 30,582 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 30,583 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 215,102 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,255 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,256 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,257 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.180I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['104-12-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[7693, 70718]; selected_pubchem_cids=[7693]; 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 |
| 249,775 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | rdkit_pre_consensus from 'C1=CC(=CC=C1N=C=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 259,090 | consensus_match | altLabel | [] | [{"@value":"1-Isocyanato-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=1-chloro-4-isocyanatobenzene||dimension=Environmental > media=Air > strata=Unknown; cas=104-12-1; added Common Chemistry CAS names as altLabel: 1-Isocyanato-4-chlorobenzene, 4-Chloro-1-isocyanatobenzene, 4-Chloroisocyanatobenzene, 4-Chlorophenyl isocyanate, <em>p</em>-Chlorophenyl isocyanate, Benzene, 1-chloro-4-isocyanato-, Isocyanic acid, <em>p</em>-chlorophenyl ester, NSC 76589; object_uuid=fo-7e1b0076ac94662c |
| 259,091 | consensus_match | cas_match_labels | — | {"104-12-1":"exactMatch"} | group_key=1-chloro-4-isocyanatobenzene||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'104-12-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e1b0076ac94662c: {'104-12-1': 'exactMatch'} |
| 274,913 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-chloro-4-isocyanatobenzene' |
| 281,384 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | rdkit_post_consensus from 'O=C=Nc1ccc(Cl)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,328 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Isocyanato-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"1-Isocyanato-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 76589' (registry code) |
| 296,323 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/06741a54-4eb1-… | associations resolved on the elementary layer |
| 389,211 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H4ClNO"]… | typed the way the ontology types it |
| 396,264 | 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/20260820T1812399309960000/5280 | prefLabel | ef:agent/bootstrap_labels | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v0 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v1 |
| ef:activity/change/20260820T1812399309960000/5281 | name | ef:agent/bootstrap_labels | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v1 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v2 |
| ef:activity/change/20260820T1812399309960000/5282 | synonyms | ef:agent/bootstrap_labels | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v2 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v3 |
| ef:activity/change/20260820T1812399309960000/30582 | context | ef:agent/default_context_mapping | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v3 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v4 |
| ef:activity/change/20260820T1812399309960000/30583 | context_iri | ef:agent/default_context_mapping | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v4 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v5 |
| ef:activity/change/20260820T1812399309960000/215102 | unit_iri | ef:agent/unit_normalization | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v5 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v6 |
| ef:activity/change/20260820T1812399309960000/232255 | properties | ef:agent/enrich_references | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v6 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v7 |
| ef:activity/change/20260820T1812399309960000/232256 | skos_definition | ef:agent/enrich_references | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v7 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v8 |
| ef:activity/change/20260820T1812399309960000/232257 | references | ef:agent/enrich_references | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v8 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v9 |
| ef:activity/change/20260820T1812399309960000/249775 | properties | ef:agent/rdkit_pre_consensus | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v9 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v10 |
| ef:activity/change/20260820T1812399309960000/259090 | altLabel | ef:agent/consensus_match | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v10 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v11 |
| ef:activity/change/20260820T1812399309960000/259091 | cas_match_labels | ef:agent/consensus_match | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v11 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v12 |
| ef:activity/change/20260820T1812399309960000/274913 | properties | ef:agent/opsin_iupac | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v12 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v13 |
| ef:activity/change/20260820T1812399309960000/281384 | properties | ef:agent/rdkit_post_consensus | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v13 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v14 |
| ef:activity/change/20260820T1812399309960000/288328 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v14 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v15 |
| ef:activity/change/20260820T1812399309960000/296323 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v15 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v16 |
| ef:activity/change/20260820T1812399309960000/389211 | properties | ef:agent/normalise_property_values | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v16 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v17 |
| ef:activity/change/20260820T1812399309960000/396264 | types | ef:agent/link_flows_to_their_substance | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v17 | ef:flow/06741a54-4eb1-48db-9dd5-cf386f5a701c/v18 |