Benzenesulphonyl Chloride
Everything that changed this flow. Back to the flow
1fc382fb-37c7-4706-a278-f606ed2eb5e0
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 2864' (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=benzenesulphonylchloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-09-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7710513e455e19ef: {'98-09-9': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['98-09-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7369, 237554, 22391794]; selected_pubchem_cids=[7369]; 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 |
|---|---|---|---|---|---|
| 18,012 | bootstrap_labels | prefLabel | — | [{"@value":"benzenesulphonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 18,013 | bootstrap_labels | name | benzenesulphonyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 18,014 | bootstrap_labels | synonyms | ["AB1003068","AC1L1OLS","AC1Q3VLY","AC1Q6V2L","AKOS000118823","B0036","B1211","BENZENESULFONYL CHLORIDE","BSC-refine D"… | [] | Removed legacy synonyms field in favor of structured labels |
| 58,048 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 58,049 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,237 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,207 | normalize_name_case | prefLabel | [{"@value":"benzenesulphonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"Benzenesulphonyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,049 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,050 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,051 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.983G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['98-09-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7369, 237554, 22391794]; selected_pubchem_cids=[7369]; 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 |
| 253,179 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)S(=O)(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 264,114 | consensus_match | altLabel | [] | [{"@value":"Benzene sulfochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | group_key=benzenesulphonylchloride||dimension=Environmental > media=Water > water_body=Ocean; cas=98-09-9; added Common Chemistry CAS names as altLabel: Benzene sulfochloride, Benzene-1-sulfonyl chloride, Benzenesulfonic chloride, Benzenesulfonyl chloride, NSC 2864, Phenylsulfonyl chloride; object_uuid=fo-7710513e455e19ef |
| 264,115 | consensus_match | cas_match_labels | — | {"98-09-9":"exactMatch"} | group_key=benzenesulphonylchloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-09-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7710513e455e19ef: {'98-09-9': 'exactMatch'} |
| 278,384 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzenesulphonyl Chloride' |
| 285,143 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | rdkit_post_consensus from 'O=S(=O)(Cl)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,888 | strip_catalogue_altlabels | altLabel | [{"@value":"Benzene sulfochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | [{"@value":"Benzene sulfochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 2864' (registry code) |
| 310,046 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1fc382fb-37c7-… | associations resolved on the elementary layer |
| 392,750 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5ClO2S"… | typed the way the ontology types it |
| 401,366 | 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/20260821T1554374006150000/18012 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v0 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v1 |
| ef:activity/change/20260821T1554374006150000/18013 | name | ef:agent/bootstrap_labels | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v1 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v2 |
| ef:activity/change/20260821T1554374006150000/18014 | synonyms | ef:agent/bootstrap_labels | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v2 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v3 |
| ef:activity/change/20260821T1554374006150000/58048 | context | ef:agent/default_context_mapping | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v3 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v4 |
| ef:activity/change/20260821T1554374006150000/58049 | context_iri | ef:agent/default_context_mapping | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v4 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v5 |
| ef:activity/change/20260821T1554374006150000/219237 | unit_iri | ef:agent/unit_normalization | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v5 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v6 |
| ef:activity/change/20260821T1554374006150000/225207 | prefLabel | ef:agent/normalize_name_case | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v6 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v7 |
| ef:activity/change/20260821T1554374006150000/244049 | properties | ef:agent/enrich_references | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v7 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v8 |
| ef:activity/change/20260821T1554374006150000/244050 | skos_definition | ef:agent/enrich_references | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v8 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v9 |
| ef:activity/change/20260821T1554374006150000/244051 | references | ef:agent/enrich_references | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v9 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v10 |
| ef:activity/change/20260821T1554374006150000/253179 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v10 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v11 |
| ef:activity/change/20260821T1554374006150000/264114 | altLabel | ef:agent/consensus_match | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v11 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v12 |
| ef:activity/change/20260821T1554374006150000/264115 | cas_match_labels | ef:agent/consensus_match | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v12 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v13 |
| ef:activity/change/20260821T1554374006150000/278384 | properties | ef:agent/opsin_iupac | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v13 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v14 |
| ef:activity/change/20260821T1554374006150000/285143 | properties | ef:agent/rdkit_post_consensus | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v14 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v15 |
| ef:activity/change/20260821T1554374006150000/290888 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v15 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v16 |
| ef:activity/change/20260821T1554374006150000/310046 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v16 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v17 |
| ef:activity/change/20260821T1554374006150000/392750 | properties | ef:agent/normalise_property_values | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v17 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v18 |
| ef:activity/change/20260821T1554374006150000/401366 | types | ef:agent/link_flows_to_their_substance | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v18 | ef:flow/1fc382fb-37c7-4706-a278-f606ed2eb5e0/v19 |