3,5-dimethylbenzoyl Chloride
Everything that changed this flow. Back to the flow
8ba21b2c-4fc6-4565-9592-c95e0b6e69ce
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b |
| cas_match_labels | 1 | consensus_match | group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6613-44-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[81088, 225153]; selected_pubchem_cids=[81088]; 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 |
|---|---|---|---|---|---|
| 2,226 | bootstrap_labels | prefLabel | — | [{"@value":"3,5-dimethylbenzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 2,227 | bootstrap_labels | name | 3,5-dimethylbenzoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 2,228 | bootstrap_labels | synonyms | ["organic","3,5-dimethylbenzoylchloride","dmbc"] | [] | Removed legacy synonyms field in favor of structured labels |
| 132,848 | 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 |
| 132,849 | 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 |
| 214,080 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,604 | normalize_name_case | prefLabel | [{"@value":"3,5-dimethylbenzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"3,5-dimethylbenzoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,319 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,320 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,321 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J421.824H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['6613-44-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[81088, 225153]; selected_pubchem_cids=[81088]; 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 |
| 248,935 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | rdkit_pre_consensus from 'CC1=CC(=CC(=C1)C(=O)Cl)C'; added: molecular_mass, monoisotopic_mass |
| 261,609 | consensus_match | altLabel | [] | [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b |
| 261,610 | consensus_match | cas_match_labels | — | {"6613-44-1":"exactMatch"} | group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'} |
| 274,054 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,5-dimethylbenzoyl Chloride' |
| 280,463 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | rdkit_post_consensus from 'Cc1cc(C)cc(C(=O)Cl)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 347,419 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8ba21b2c-4fc6-… | associations resolved on the elementary layer |
| 388,345 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO"],… | typed the way the ontology types it |
| 395,039 | 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/20260821T1554374006150000/2226 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v0 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v1 |
| ef:activity/change/20260821T1554374006150000/2227 | name | ef:agent/bootstrap_labels | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v1 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v2 |
| ef:activity/change/20260821T1554374006150000/2228 | synonyms | ef:agent/bootstrap_labels | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v2 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v3 |
| ef:activity/change/20260821T1554374006150000/132848 | context | ef:agent/default_context_mapping | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v3 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v4 |
| ef:activity/change/20260821T1554374006150000/132849 | context_iri | ef:agent/default_context_mapping | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v4 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v5 |
| ef:activity/change/20260821T1554374006150000/214080 | unit_iri | ef:agent/unit_normalization | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v5 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v6 |
| ef:activity/change/20260821T1554374006150000/221604 | prefLabel | ef:agent/normalize_name_case | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v6 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v7 |
| ef:activity/change/20260821T1554374006150000/229319 | properties | ef:agent/enrich_references | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v7 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v8 |
| ef:activity/change/20260821T1554374006150000/229320 | skos_definition | ef:agent/enrich_references | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v8 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v9 |
| ef:activity/change/20260821T1554374006150000/229321 | references | ef:agent/enrich_references | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v9 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v10 |
| ef:activity/change/20260821T1554374006150000/248935 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v10 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v11 |
| ef:activity/change/20260821T1554374006150000/261609 | altLabel | ef:agent/consensus_match | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v11 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v12 |
| ef:activity/change/20260821T1554374006150000/261610 | cas_match_labels | ef:agent/consensus_match | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v12 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v13 |
| ef:activity/change/20260821T1554374006150000/274054 | properties | ef:agent/opsin_iupac | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v13 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v14 |
| ef:activity/change/20260821T1554374006150000/280463 | properties | ef:agent/rdkit_post_consensus | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v14 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v15 |
| ef:activity/change/20260821T1554374006150000/347419 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v15 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v16 |
| ef:activity/change/20260821T1554374006150000/388345 | properties | ef:agent/normalise_property_values | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v16 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v17 |
| ef:activity/change/20260821T1554374006150000/395039 | types | ef:agent/link_flows_to_their_substance | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v17 | ef:flow/8ba21b2c-4fc6-4565-9592-c95e0b6e69ce/v18 |