Dichlorobis(η-cyclopentadienyl)titanium
Everything that changed this flow. Back to the flow
79c6ac9f-f899-484c-ab63-f14e0cbdafef
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 1 catalogue altLabel value(s): 'NSC 78453' (registry code) |
| 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=dichlorobis(η-cyclopentadienyl)titanium||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'1271-19-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9b68b6de8707b91d: {'1271-19-8': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1271-19-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[101856, 416358, 5284468, 6917972, 10220604, 11075829, 11986554, 13350824, 15978235, 21875429, 53384597, 71299275, 73357676, 74890115, 76030824, 101920955, 102370818, 124040768, 131674917, 175684371, 176447802]; selected_pubchem_cids=[53384597, 76030824]; 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 |
|---|---|---|---|---|---|
| 4,332 | bootstrap_labels | prefLabel | — | [{"@value":"dichlorobis(η-cyclopentadienyl)titanium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 4,333 | bootstrap_labels | name | dichlorobis(η-cyclopentadienyl)titanium | — | Purged legacy name field to enforce prefLabel usage |
| 4,334 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 122,220 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 122,221 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,786 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,090 | normalize_name_case | prefLabel | [{"@value":"dichlorobis(η-cyclopentadienyl)titanium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Dichlorobis(η-cyclopentadienyl)titanium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,347 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 231,348 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,349 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.013.669","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['1271-19-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[101856, 416358, 5284468, 6917972, 10220604, 11075829, 11986554, 13350824, 15978235, 21875429, 53384597, 71299275, 73357676, 74890115, 76030824, 101920955, 102370818, 124040768, 131674917, 175684371, 176447802]; selected_pubchem_cids=[53384597, 76030824]; 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 |
| 249,517 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | rdkit_pre_consensus from '[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+4]'; added: molecular_mass, monoisotopic_mass |
| 265,822 | consensus_match | altLabel | [] | [{"@value":"Bis(cyclopentadienyl)dichlorotitanium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=dichlorobis(η-cyclopentadienyl)titanium||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1271-19-8; added Common Chemistry CAS names as altLabel: Bis(cyclopentadienyl)dichlorotitanium, Bis(cyclopentadienyl)titanium dichloride, Bis(cyclopentadienyl)titanium(IV) dichloride, Bis(η<sup>5</sup>-cyclopentadienyl)titanium dichloride, Bis(π-cyclopentadienyl)titanium dichloride, Dichlorobis(1,3-cyclopentadiene)titanium, Dichlorobis(cyclopentadienyl)titanium, Dichlorobis(η<sup>5</sup>-2,4-cyclopentadien-1-yl)titanium, Dichlorobis(η<sup>5</sup>-cyclopentadienyl)titanium, Dichlorobis(π-cyclopentadienyl)titanium, Dichlorodi-π-cyclopentadienyltitanium, Dichlorodicyclopentadienyltitanium, Dichlorotitanocene, Dicyclopentadienyldichlorotitanium, Dicyclopentadienyltitanium dichloride, Dicyclopentadienyltitanium(IV) dichloride, NSC 78453, Titanium, dichlorobis(η<sup>5</sup>-2,4-cyclopentadien-1-yl)-, Titanium, dichlorodi-π-cyclopentadienyl-, Titanocene dichloride; object_uuid=fo-9b68b6de8707b91d |
| 265,823 | consensus_match | cas_match_labels | — | {"1271-19-8":"exactMatch"} | group_key=dichlorobis(η-cyclopentadienyl)titanium||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'1271-19-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9b68b6de8707b91d: {'1271-19-8': 'exactMatch'} |
| 274,648 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(cyclopentadienyl)dichlorotitanium' |
| 281,104 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | rdkit_post_consensus from '[Cl][Ti]([Cl])([CH]1C=CC=C1)[CH]1C=CC=C1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,804 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Cl2T… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,139 | strip_catalogue_altlabels | altLabel | [{"@value":"Bis(cyclopentadienyl)dichlorotitanium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | [{"@value":"Bis(cyclopentadienyl)dichlorotitanium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | Removed 1 catalogue altLabel value(s): 'NSC 78453' (registry code) |
| 342,108 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/79c6ac9f-f899-… | associations resolved on the elementary layer |
| 395,905 | 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/20260822T0600486828500000/4332 | prefLabel | ef:agent/bootstrap_labels | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v0 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v1 |
| ef:activity/change/20260822T0600486828500000/4333 | name | ef:agent/bootstrap_labels | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v1 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v2 |
| ef:activity/change/20260822T0600486828500000/4334 | synonyms | ef:agent/bootstrap_labels | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v2 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v3 |
| ef:activity/change/20260822T0600486828500000/122220 | context | ef:agent/default_context_mapping | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v3 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v4 |
| ef:activity/change/20260822T0600486828500000/122221 | context_iri | ef:agent/default_context_mapping | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v4 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v5 |
| ef:activity/change/20260822T0600486828500000/214786 | unit_iri | ef:agent/unit_normalization | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v5 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v6 |
| ef:activity/change/20260822T0600486828500000/222090 | prefLabel | ef:agent/normalize_name_case | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v6 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v7 |
| ef:activity/change/20260822T0600486828500000/231347 | properties | ef:agent/enrich_references | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v7 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v8 |
| ef:activity/change/20260822T0600486828500000/231348 | skos_definition | ef:agent/enrich_references | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v8 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v9 |
| ef:activity/change/20260822T0600486828500000/231349 | references | ef:agent/enrich_references | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v9 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v10 |
| ef:activity/change/20260822T0600486828500000/249517 | properties | ef:agent/rdkit_pre_consensus | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v10 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v11 |
| ef:activity/change/20260822T0600486828500000/265822 | altLabel | ef:agent/consensus_match | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v11 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v12 |
| ef:activity/change/20260822T0600486828500000/265823 | cas_match_labels | ef:agent/consensus_match | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v12 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v13 |
| ef:activity/change/20260822T0600486828500000/274648 | properties | ef:agent/opsin_iupac | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v13 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v14 |
| ef:activity/change/20260822T0600486828500000/281104 | properties | ef:agent/rdkit_post_consensus | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v14 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v15 |
| ef:activity/change/20260822T0600486828500000/286804 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v15 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v16 |
| ef:activity/change/20260822T0600486828500000/288139 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v16 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v17 |
| ef:activity/change/20260822T0600486828500000/342108 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v17 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v18 |
| ef:activity/change/20260822T0600486828500000/395905 | types | ef:agent/link_flows_to_their_substance | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v18 | ef:flow/79c6ac9f-f899-484c-ab63-f14e0cbdafef/v19 |