Diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate)
Everything that changed this flow. Back to the flow
ae2a1aae-a2a2-4c30-964b-0ca94a34965e
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 3 catalogue altLabel value(s): 'C.I. 21120' (registry code), 'NSC 16093' (registry code), 'Plasticone Red 10457' (trade name) |
| 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=diethyl4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate)||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'6358-87-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-24f6c4c1dbf87dfa: {'6358-87-8': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6358-87-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[95076, 99649446, 135565064]; selected_pubchem_cids=[95076]; 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 |
|---|---|---|---|---|---|
| 3,901 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol… | Bootstrapped prefLabel from legacy name field |
| 3,902 | bootstrap_labels | name | diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxyl… | — | Purged legacy name field to enforce prefLabel usage |
| 3,903 | bootstrap_labels | synonyms | ["organic","diethyl4,4'","-[(3,3'","-dichloro[1,1'","-biphenyl]-4,4'","-diyl)bis(azo)]bis[4,5-dihydro-5… | [] | Removed legacy synonyms field in favor of structured labels |
| 153,423 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 153,424 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 214,647 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,992 | normalize_name_case | prefLabel | [{"@value":"diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol… | [{"@value":"Diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,946 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,947 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,948 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.632H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['6358-87-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[95076, 99649446, 135565064]; selected_pubchem_cids=[95076]; 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 |
| 249,410 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | rdkit_pre_consensus from 'CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C(=O)OCC)Cl)Cl)C6=CC=CC=C6'; added: molecular_mass, monoisotopic_mass |
| 265,882 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-Pyrazole-3-carboxylic acid, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]… | group_key=diethyl4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate)||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=6358-87-8; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Pyrazole-3-carboxylic acid, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[4,5-dihydro-5-oxo-1-phenyl-, 3,3′-diethyl ester, 1<em>H</em>-Pyrazole-3-carboxylic acid, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-, diethyl ester, 2-Pyrazoline-3-carboxylic acid, 4,4′-(3,3′-dichloro-4,4′-biphenylylenebisazo)bis[5-oxo-1-phenyl-, diethyl ester, Benzidine Red, C.I. 21120, C.I. Pigment Red 38, Dainichi Fast Red BL, Fanchon Red R 6227, Irgalite Fast Red PY, Irgaplast Red P, Lionol Red B, NSC 16093, Piper Red, Plasticone Red 10457, Pyrazolone Red, Pyrazolone Red (Yellowish) R-6258, Pyrazolone Red B Toner, Pyrazolone Red Y, Rubber Fast Red B, Rubber Fast Red BA, Sanyo Pyrazolone Red, Silogomma Fast Red B, Silotermo Red B, Symuler Fast Pyrazolone Red B, Symuler Fast Pyrazolone Red BE, Symuler Fast Pyrazolone Red BT, Vulcan Fast Red B, Vulcan Fast Red BA, Vulcan Fast Red BA-ND, Vulcan Fast Red BN; object_uuid=fo-24f6c4c1dbf87dfa |
| 265,883 | consensus_match | cas_match_labels | — | {"6358-87-8":"exactMatch"} | group_key=diethyl4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate)||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'6358-87-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-24f6c4c1dbf87dfa: {'6358-87-8': 'exactMatch'} |
| 274,541 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate)' |
| 280,986 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | rdkit_post_consensus from 'CCOC(=O)C1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccccc4)N=C3C(=O)OCC)c(Cl)c2)cc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,064 | strip_catalogue_altlabels | altLabel | [{"@value":"1<em>H</em>-Pyrazole-3-carboxylic acid, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]… | [{"@value":"1H-Pyrazole-3-carboxylic acid, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[4,5-d… | Removed 3 catalogue altLabel value(s): 'C.I. 21120' (registry code), 'NSC 16093' (registry code), 'Plasticone Red 10457' (trade name) |
| 357,765 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ae2a1aae-a2a2-… | associations resolved on the elementary layer |
| 388,866 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28Cl2N… | typed the way the ontology types it |
| 395,768 | 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/20260920T1042228874600000/3901 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v0 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v1 |
| ef:activity/change/20260920T1042228874600000/3902 | name | ef:agent/bootstrap_labels | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v1 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v2 |
| ef:activity/change/20260920T1042228874600000/3903 | synonyms | ef:agent/bootstrap_labels | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v2 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v3 |
| ef:activity/change/20260920T1042228874600000/153423 | context | ef:agent/default_context_mapping | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v3 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v4 |
| ef:activity/change/20260920T1042228874600000/153424 | context_iri | ef:agent/default_context_mapping | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v4 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v5 |
| ef:activity/change/20260920T1042228874600000/214647 | unit_iri | ef:agent/unit_normalization | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v5 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v6 |
| ef:activity/change/20260920T1042228874600000/221992 | prefLabel | ef:agent/normalize_name_case | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v6 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v7 |
| ef:activity/change/20260920T1042228874600000/230946 | properties | ef:agent/enrich_references | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v7 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v8 |
| ef:activity/change/20260920T1042228874600000/230947 | skos_definition | ef:agent/enrich_references | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v8 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v9 |
| ef:activity/change/20260920T1042228874600000/230948 | references | ef:agent/enrich_references | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v9 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v10 |
| ef:activity/change/20260920T1042228874600000/249410 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v10 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v11 |
| ef:activity/change/20260920T1042228874600000/265882 | altLabel | ef:agent/consensus_match | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v11 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v12 |
| ef:activity/change/20260920T1042228874600000/265883 | cas_match_labels | ef:agent/consensus_match | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v12 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v13 |
| ef:activity/change/20260920T1042228874600000/274541 | properties | ef:agent/opsin_iupac | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v13 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v14 |
| ef:activity/change/20260920T1042228874600000/280986 | properties | ef:agent/rdkit_post_consensus | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v14 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v15 |
| ef:activity/change/20260920T1042228874600000/288064 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v15 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v16 |
| ef:activity/change/20260920T1042228874600000/357765 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v16 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v17 |
| ef:activity/change/20260920T1042228874600000/388866 | properties | ef:agent/normalise_property_values | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v17 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v18 |
| ef:activity/change/20260920T1042228874600000/395768 | types | ef:agent/link_flows_to_their_substance | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v18 | ef:flow/ae2a1aae-a2a2-4c30-964b-0ca94a34965e/v19 |