1,1'-disulfanediyldiazepan-2-one
Everything that changed this flow. Back to the flow
a0518c10-7f5f-4404-876f-664a3bc60b4f
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 2 catalogue altLabel value(s): 'CLD 80' (grade code), 'DTDC 80' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=1,1'-disulfanediyldiazepan-2-one||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'23847-08-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5c2db07d8460f3d: {'23847-08-7': '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 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=['23847-08-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[90282, 263798]; selected_pubchem_cids=[90282]; 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 |
|---|---|---|---|---|---|
| 10,664 | bootstrap_labels | prefLabel | — | [{"@value":"1,1'-disulfanediyldiazepan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 10,665 | bootstrap_labels | name | 1,1'-disulfanediyldiazepan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 10,666 | bootstrap_labels | synonyms | ["organic","1,1'","-dithiobis[hexahydro-2h-azepin-2-one]"] | [] | Removed legacy synonyms field in favor of structured labels |
| 145,116 | 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 |
| 145,117 | 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 |
| 216,881 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,339 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,340 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,341 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.151B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['23847-08-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[90282, 263798]; selected_pubchem_cids=[90282]; 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 |
| 251,237 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | rdkit_pre_consensus from 'C1CCC(=O)N(CC1)SSN2CCCCCC2=O'; added: molecular_mass, monoisotopic_mass |
| 258,046 | consensus_match | altLabel | [] | [{"@value":"1,1′-Dithiobis[hexahydro-2<em>H</em>-azepin-2-one]","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=1,1'-disulfanediyldiazepan-2-one||dimension=Environmental > media=Water > water_body=Long-term; cas=23847-08-7; added Common Chemistry CAS names as altLabel: 1,1′-Dithiobis[hexahydro-2<em>H</em>-azepin-2-one], 1,1′-Dithiodiazepan-2-one, 1-[(2-Oxoazepan-1-yl)disulfanyl]azepan-2-one, 2<em>H</em>-Azepin-2-one, 1,1′-dithiobis[hexahydro-, <em>N</em>,<em>N</em>′-Dicaprolactam disulfide, <em>N</em>,<em>N</em>′-Dithiobis(hexahydro-2<em>H</em>-azepinone), <em>N</em>,<em>N</em>′-Dithiodicaprolactam, Accelerator CLD, CLD, CLD 80, DTDC, DTDC 80, Dithiodicaprolactam, Rhenocure S, Rhenogran CLD 80, Vulcofac CLD-MB 80; object_uuid=fo-d5c2db07d8460f3d |
| 258,047 | consensus_match | cas_match_labels | — | {"23847-08-7":"exactMatch"} | group_key=1,1'-disulfanediyldiazepan-2-one||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'23847-08-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5c2db07d8460f3d: {'23847-08-7': 'exactMatch'} |
| 276,437 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1'-disulfanediyldiazepan-2-one' |
| 283,037 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | rdkit_post_consensus from 'O=C1CCCCCN1SSN1CCCCCC1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,490 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′-Dithiobis[hexahydro-2<em>H</em>-azepin-2-one]","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"1,1′-Dithiobis[hexahydro-2H-azepin-2-one]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 2 catalogue altLabel value(s): 'CLD 80' (grade code), 'DTDC 80' (grade code) |
| 353,580 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a0518c10-7f5f-… | associations resolved on the elementary layer |
| 390,789 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O2… | typed the way the ontology types it |
| 398,554 | 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/20260820T0738569779880000/10664 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v0 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v1 |
| ef:activity/change/20260820T0738569779880000/10665 | name | ef:agent/bootstrap_labels | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v1 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v2 |
| ef:activity/change/20260820T0738569779880000/10666 | synonyms | ef:agent/bootstrap_labels | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v2 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v3 |
| ef:activity/change/20260820T0738569779880000/145116 | context | ef:agent/default_context_mapping | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v3 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v4 |
| ef:activity/change/20260820T0738569779880000/145117 | context_iri | ef:agent/default_context_mapping | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v4 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v5 |
| ef:activity/change/20260820T0738569779880000/216881 | unit_iri | ef:agent/unit_normalization | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v5 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v6 |
| ef:activity/change/20260820T0738569779880000/237339 | properties | ef:agent/enrich_references | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v6 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v7 |
| ef:activity/change/20260820T0738569779880000/237340 | skos_definition | ef:agent/enrich_references | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v7 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v8 |
| ef:activity/change/20260820T0738569779880000/237341 | references | ef:agent/enrich_references | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v8 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v9 |
| ef:activity/change/20260820T0738569779880000/251237 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v9 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v10 |
| ef:activity/change/20260820T0738569779880000/258046 | altLabel | ef:agent/consensus_match | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v10 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v11 |
| ef:activity/change/20260820T0738569779880000/258047 | cas_match_labels | ef:agent/consensus_match | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v11 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v12 |
| ef:activity/change/20260820T0738569779880000/276437 | properties | ef:agent/opsin_iupac | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v12 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v13 |
| ef:activity/change/20260820T0738569779880000/283037 | properties | ef:agent/rdkit_post_consensus | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v13 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v14 |
| ef:activity/change/20260820T0738569779880000/289490 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v14 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v15 |
| ef:activity/change/20260820T0738569779880000/353580 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v15 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v16 |
| ef:activity/change/20260820T0738569779880000/390789 | properties | ef:agent/normalise_property_values | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v16 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v17 |
| ef:activity/change/20260820T0738569779880000/398554 | types | ef:agent/link_flows_to_their_substance | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v17 | ef:flow/a0518c10-7f5f-4404-876f-664a3bc60b4f/v18 |