1-isocyanato-2-(4-isocyanatobenzyl)benzene
Everything that changed this flow. Back to the flow
6500eaf1-66e4-41a0-bbd4-d84abafa2492
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=1-isocyanato-2-(4-isocyanatobenzyl)benzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5873-54-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d9f274e90d7b2c5f: {'5873-54-1': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['5873-54-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[62593]; selected_pubchem_cids=[62593]; 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 |
|---|---|---|---|---|---|
| 9,320 | bootstrap_labels | prefLabel | — | [{"@value":"1-isocyanato-2-(4-isocyanatobenzyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 9,321 | bootstrap_labels | name | 1-isocyanato-2-(4-isocyanatobenzyl)benzene | — | Purged legacy name field to enforce prefLabel usage |
| 9,322 | bootstrap_labels | synonyms | ["2,4â??-methylenediphenyldiisocyanate","diphenylmethane-2,4'","-diisocyanate","o-(p-isocyanatobenzyl)phenylisocyan… | [] | Removed legacy synonyms field in favor of structured labels |
| 109,900 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 109,901 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,439 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,097 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,098 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,099 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J218.114B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['5873-54-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[62593]; selected_pubchem_cids=[62593]; 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 |
| 250,880 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)CC2=CC=C(C=C2)N=C=O)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 259,180 | consensus_match | altLabel | [] | [{"@value":"1-Isocyanato-2-[(4-isocyanatophenyl)methyl]benzene","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=1-isocyanato-2-(4-isocyanatobenzyl)benzene||dimension=Environmental > media=Water > water_body=Unknown; cas=5873-54-1; added Common Chemistry CAS names as altLabel: 1-Isocyanato-2-[(4-isocyanatophenyl)methyl]benzene, 2,4′-Diisocyanatodiphenylmethane, 2,4′-Diphenylmethane diisocyanate, 2,4′-MDI, 2,4′-Methylenediphenyl diisocyanate, <em>o</em>-(<em>p</em>-Isocyanatobenzyl)phenyl-isocyanate, Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-, Diphenylmethane-2,4-diisocyanate, Isocyanic acid, diester with 2,4′-methylenediphenol, Phenol, 2,4′-methylenedi-, diisocyanate; object_uuid=fo-d9f274e90d7b2c5f |
| 259,181 | consensus_match | cas_match_labels | — | {"5873-54-1":"exactMatch"} | group_key=1-isocyanato-2-(4-isocyanatobenzyl)benzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5873-54-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d9f274e90d7b2c5f: {'5873-54-1': 'exactMatch'} |
| 276,064 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-isocyanato-2-(4-isocyanatobenzyl)benzene' |
| 282,633 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | rdkit_post_consensus from 'O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,430 | dedupe_altlabels | altLabel | [{"@value":"1-Isocyanato-2-[(4-isocyanatophenyl)methyl]benzene","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"1-Isocyanato-2-[(4-isocyanatophenyl)methyl]benzene","@language":"en","source":{"prov:wasGeneratedBy":"conse… | Deduplicated altLabel values and removed entries matching prefLabel |
| 335,942 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6500eaf1-66e4-… | associations resolved on the elementary layer |
| 390,404 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H10N2O2… | typed the way the ontology types it |
| 397,997 | 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/20260820T1812399309960000/9320 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v0 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v1 |
| ef:activity/change/20260820T1812399309960000/9321 | name | ef:agent/bootstrap_labels | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v1 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v2 |
| ef:activity/change/20260820T1812399309960000/9322 | synonyms | ef:agent/bootstrap_labels | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v2 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v3 |
| ef:activity/change/20260820T1812399309960000/109900 | context | ef:agent/default_context_mapping | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v3 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v4 |
| ef:activity/change/20260820T1812399309960000/109901 | context_iri | ef:agent/default_context_mapping | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v4 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v5 |
| ef:activity/change/20260820T1812399309960000/216439 | unit_iri | ef:agent/unit_normalization | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v5 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v6 |
| ef:activity/change/20260820T1812399309960000/236097 | properties | ef:agent/enrich_references | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v6 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v7 |
| ef:activity/change/20260820T1812399309960000/236098 | skos_definition | ef:agent/enrich_references | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v7 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v8 |
| ef:activity/change/20260820T1812399309960000/236099 | references | ef:agent/enrich_references | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v8 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v9 |
| ef:activity/change/20260820T1812399309960000/250880 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v9 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v10 |
| ef:activity/change/20260820T1812399309960000/259180 | altLabel | ef:agent/consensus_match | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v10 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v11 |
| ef:activity/change/20260820T1812399309960000/259181 | cas_match_labels | ef:agent/consensus_match | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v11 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v12 |
| ef:activity/change/20260820T1812399309960000/276064 | properties | ef:agent/opsin_iupac | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v12 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v13 |
| ef:activity/change/20260820T1812399309960000/282633 | properties | ef:agent/rdkit_post_consensus | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v13 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v14 |
| ef:activity/change/20260820T1812399309960000/292430 | altLabel | ef:agent/dedupe_altlabels | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v14 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v15 |
| ef:activity/change/20260820T1812399309960000/335942 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v15 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v16 |
| ef:activity/change/20260820T1812399309960000/390404 | properties | ef:agent/normalise_property_values | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v16 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v17 |
| ef:activity/change/20260820T1812399309960000/397997 | types | ef:agent/link_flows_to_their_substance | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v17 | ef:flow/6500eaf1-66e4-41a0-bbd4-d84abafa2492/v18 |