3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n
Everything that changed this flow. Back to the flow
47c32760-ced5-4942-93d7-14d3059427c1
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'C.I. 561170' (registry code), 'PO 73' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'84632-59-7': []}; assigned CAS labels from group consensus; object_uuid=fo-df666b4194689ebe: {'84632-59-7': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['84632-59-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[135739860]; selected_pubchem_cids=[135739860]; 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 |
|---|---|---|---|---|---|
| 221 | bootstrap_labels | prefLabel | — | [{"@value":"3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n","@language":"en","source":{"prov:… | Bootstrapped prefLabel from legacy name field |
| 222 | bootstrap_labels | name | 3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n | — | Purged legacy name field to enforce prefLabel usage |
| 223 | bootstrap_labels | synonyms | ["organic","irgazindpporange16a","cinilexsj1c"] | [] | Removed legacy synonyms field in favor of structured labels |
| 83,994 | 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 |
| 83,995 | 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 |
| 213,412 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,379 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,380 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,381 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.018.062G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['84632-59-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[135739860]; selected_pubchem_cids=[135739860]; 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 |
| 248,372 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | rdkit_pre_consensus from 'CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)C(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 261,654 | consensus_match | altLabel | [] | [{"@value":"1,4-Diketo-3,6-bis(4-<em>tert</em>-butylphenyl)pyrrolo[3,4-<em>c</em>]pyrrole","@language":"en","source":{"… | group_key=3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n||dimension=Environmental > media=Water > water_body=Surface water; cas=84632-59-7; added Common Chemistry CAS names as altLabel: 1,4-Diketo-3,6-bis(4-<em>tert</em>-butylphenyl)pyrrolo[3,4-<em>c</em>]pyrrole, 3,6-Bis(4-(<em>tert</em>-butyl)phenyl)pyrrolo[3,4-<em>c</em>]pyrrole-1,4(2<em>H</em>,5<em>H</em>)-dione, 3,6-Bis(4-<em>tert</em>-butylphenyl)-1,4-diketopyrrolo[3,4-<em>c</em>]pyrrole, 3,6-Bis(4-<em>tert</em>-butylphenyl)-2,5-dihydropyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 3,6-Bis[4-(1,1-dimethylethyl)phenyl]-2,5-dihydropyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, C.I. 561170, C.I. Pigment Orange 73, Cinilex DPP Orange SJ 1C, DPP Orange RA, DPP Orange SJ 1C, Irgazin DPP Orange RA, Irgazin Orange EH 1287, Irgazin Orange L 2990HD, PO 73, Permanent Orange 3RTN-P, Pigment Orange 16A, Pigment Orange 73, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 3,6-bis[4-(1,1-dimethylethyl)phenyl]-2,5-dihydro-, Xianlite Orange EI 4500; object_uuid=fo-df666b4194689ebe |
| 261,655 | consensus_match | cas_match_labels | — | {"84632-59-7":"exactMatch"} | group_key=3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'84632-59-7': []}; assigned CAS labels from group consensus; object_uuid=fo-df666b4194689ebe: {'84632-59-7': 'exactMatch'} |
| 273,515 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,6-Bis(4-(tert-butyl)phenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione' |
| 279,868 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | rdkit_post_consensus from 'CC(C)(C)c1ccc(C2=C3C(=O)NC(c4ccc(C(C)(C)C)cc4)=C3C(=O)N2)cc1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,729 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H28N2O2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,312 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Diketo-3,6-bis(4-<em>tert</em>-butylphenyl)pyrrolo[3,4-<em>c</em>]pyrrole","@language":"en","source":{"… | [{"@value":"1,4-Diketo-3,6-bis(4-tert-butylphenyl)pyrrolo[3,4-c]pyrrole","@language":"en","source":{"prov:wasGeneratedB… | Removed 2 catalogue altLabel value(s): 'C.I. 561170' (registry code), 'PO 73' (grade code) |
| 323,031 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47c32760-ced5-… | associations resolved on the elementary layer |
| 394,271 | 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/20260820T0738569779880000/221 | prefLabel | ef:agent/bootstrap_labels | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v0 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v1 |
| ef:activity/change/20260820T0738569779880000/222 | name | ef:agent/bootstrap_labels | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v1 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v2 |
| ef:activity/change/20260820T0738569779880000/223 | synonyms | ef:agent/bootstrap_labels | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v2 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v3 |
| ef:activity/change/20260820T0738569779880000/83994 | context | ef:agent/default_context_mapping | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v3 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v4 |
| ef:activity/change/20260820T0738569779880000/83995 | context_iri | ef:agent/default_context_mapping | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v4 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v5 |
| ef:activity/change/20260820T0738569779880000/213412 | unit_iri | ef:agent/unit_normalization | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v5 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v6 |
| ef:activity/change/20260820T0738569779880000/227379 | properties | ef:agent/enrich_references | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v6 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v7 |
| ef:activity/change/20260820T0738569779880000/227380 | skos_definition | ef:agent/enrich_references | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v7 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v8 |
| ef:activity/change/20260820T0738569779880000/227381 | references | ef:agent/enrich_references | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v8 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v9 |
| ef:activity/change/20260820T0738569779880000/248372 | properties | ef:agent/rdkit_pre_consensus | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v9 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v10 |
| ef:activity/change/20260820T0738569779880000/261654 | altLabel | ef:agent/consensus_match | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v10 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v11 |
| ef:activity/change/20260820T0738569779880000/261655 | cas_match_labels | ef:agent/consensus_match | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v11 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v12 |
| ef:activity/change/20260820T0738569779880000/273515 | properties | ef:agent/opsin_iupac | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v12 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v13 |
| ef:activity/change/20260820T0738569779880000/279868 | properties | ef:agent/rdkit_post_consensus | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v13 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v14 |
| ef:activity/change/20260820T0738569779880000/286729 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v14 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v15 |
| ef:activity/change/20260820T0738569779880000/287312 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v15 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v16 |
| ef:activity/change/20260820T0738569779880000/323031 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v16 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v17 |
| ef:activity/change/20260820T0738569779880000/394271 | types | ef:agent/link_flows_to_their_substance | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v17 | ef:flow/47c32760-ced5-4942-93d7-14d3059427c1/v18 |