4-methylbenzenesulfonyl Chloride
Everything that changed this flow. Back to the flow
6fdf5388-ac0b-4035-9faa-e99fbf6b1883
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 1 catalogue altLabel value(s): 'NSC 175822' (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=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-59-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6e057860e4c7771: {'98-59-9': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['98-59-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7397, 9280, 124899]; selected_pubchem_cids=[7397]; 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 |
|---|---|---|---|---|---|
| 13,885 | bootstrap_labels | prefLabel | — | [{"@value":"4-methylbenzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 13,886 | bootstrap_labels | name | 4-methylbenzenesulfonyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 13,887 | bootstrap_labels | synonyms | ["organic","tosylchloride","p-toluenesulfonylchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 116,412 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 116,413 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,926 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,309 | normalize_name_case | prefLabel | [{"@value":"4-methylbenzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"4-methylbenzenesulfonyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,332 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,333 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,334 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.580G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['98-59-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7397, 9280, 124899]; selected_pubchem_cids=[7397]; 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 |
| 252,101 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)S(=O)(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 262,823 | consensus_match | altLabel | [] | [{"@value":"4-Methylbenzene-1-sulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=98-59-9; added Common Chemistry CAS names as altLabel: 4-Methylbenzene-1-sulfonyl chloride, 4-Methylbenzenesulphonyl chloride, 4-Methylphenylsulfonyl chloride, 4-Toluenesulfonyl chloride, 4-Toluolsulfonyl chloride, 4-Tosyl chloride, <em>p</em>-Methylbenzenesulfonyl chloride, <em>p</em>-Methylphenylsulfonyl chloride, <em>p</em>-Toluenesulfochloride, <em>p</em>-Toluenesulfonic acid chloride, <em>p</em>-Toluenesulfonic chloride, <em>p</em>-Toluenesulfonyl chloride, <em>p</em>-Tolylsulfonyl chloride, <em>p</em>-Tosyl chloride, Benzenesulfonyl chloride, 4-methyl-, NSC 175822, Toluenesulfonyl chloride, TosCl, Tosyl chloride; object_uuid=fo-d6e057860e4c7771 |
| 262,824 | consensus_match | cas_match_labels | — | {"98-59-9":"exactMatch"} | group_key=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-59-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6e057860e4c7771: {'98-59-9': 'exactMatch'} |
| 277,296 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-methylbenzenesulfonyl Chloride' |
| 283,969 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | rdkit_post_consensus from 'Cc1ccc(S(=O)(=O)Cl)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,102 | strip_catalogue_altlabels | altLabel | [{"@value":"4-Methylbenzene-1-sulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"4-Methylbenzene-1-sulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'NSC 175822' (registry code) |
| 339,205 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6fdf5388-ac0b-… | associations resolved on the elementary layer |
| 391,650 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7ClO2S"… | typed the way the ontology types it |
| 399,778 | 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/20260821T1554374006150000/13885 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v0 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v1 |
| ef:activity/change/20260821T1554374006150000/13886 | name | ef:agent/bootstrap_labels | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v1 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v2 |
| ef:activity/change/20260821T1554374006150000/13887 | synonyms | ef:agent/bootstrap_labels | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v2 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v3 |
| ef:activity/change/20260821T1554374006150000/116412 | context | ef:agent/default_context_mapping | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v3 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v4 |
| ef:activity/change/20260821T1554374006150000/116413 | context_iri | ef:agent/default_context_mapping | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v4 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v5 |
| ef:activity/change/20260821T1554374006150000/217926 | unit_iri | ef:agent/unit_normalization | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v5 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v6 |
| ef:activity/change/20260821T1554374006150000/224309 | prefLabel | ef:agent/normalize_name_case | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v6 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v7 |
| ef:activity/change/20260821T1554374006150000/240332 | properties | ef:agent/enrich_references | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v7 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v8 |
| ef:activity/change/20260821T1554374006150000/240333 | skos_definition | ef:agent/enrich_references | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v8 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v9 |
| ef:activity/change/20260821T1554374006150000/240334 | references | ef:agent/enrich_references | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v9 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v10 |
| ef:activity/change/20260821T1554374006150000/252101 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v10 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v11 |
| ef:activity/change/20260821T1554374006150000/262823 | altLabel | ef:agent/consensus_match | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v11 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v12 |
| ef:activity/change/20260821T1554374006150000/262824 | cas_match_labels | ef:agent/consensus_match | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v12 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v13 |
| ef:activity/change/20260821T1554374006150000/277296 | properties | ef:agent/opsin_iupac | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v13 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v14 |
| ef:activity/change/20260821T1554374006150000/283969 | properties | ef:agent/rdkit_post_consensus | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v14 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v15 |
| ef:activity/change/20260821T1554374006150000/290102 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v15 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v16 |
| ef:activity/change/20260821T1554374006150000/339205 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v16 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v17 |
| ef:activity/change/20260821T1554374006150000/391650 | properties | ef:agent/normalise_property_values | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v17 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v18 |
| ef:activity/change/20260821T1554374006150000/399778 | types | ef:agent/link_flows_to_their_substance | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v18 | ef:flow/6fdf5388-ac0b-4035-9faa-e99fbf6b1883/v19 |