4-acetamidobenzenesulfonyl Chloride
Everything that changed this flow. Back to the flow
68cab938-7212-402a-999d-29ae7f5b7db7
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 127860' (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-acetamidobenzenesulfonylchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'121-60-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5dbd5fb9bbd39dee: {'121-60-8': '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=['121-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[8481, 71003, 53446633]; selected_pubchem_cids=[8481]; 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 |
|---|---|---|---|---|---|
| 17,984 | bootstrap_labels | prefLabel | — | [{"@value":"4-acetamidobenzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 17,985 | bootstrap_labels | name | 4-acetamidobenzenesulfonyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 17,986 | bootstrap_labels | synonyms | ["organic","n-acetylsulphanilylchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 112,198 | 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 |
| 112,199 | 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 |
| 219,228 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,200 | normalize_name_case | prefLabel | [{"@value":"4-acetamidobenzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"4-acetamidobenzenesulfonyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,025 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,026 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,027 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.341D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['121-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[8481, 71003, 53446633]; selected_pubchem_cids=[8481]; 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 |
| 253,171 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | rdkit_pre_consensus from 'CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 262,540 | consensus_match | altLabel | [] | [{"@value":"4-(Acetylamino)benzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=4-acetamidobenzenesulfonylchloride||dimension=Environmental > media=Air > strata=Unknown; cas=121-60-8; added Common Chemistry CAS names as altLabel: 4-(Acetylamino)benzenesulfonyl chloride, 4-(Acetylamino)phenylsulfonyl chloride, 4-Acetamidobenzene-1-sulfonyl chloride, 4-Acetamidophenylsulfonyl chloride, 4-Chlorosulfonylacetanilide, 4′-(Chlorosulfonyl)acetanilide, <em>N</em>-(4-Chlorosulfonylphenyl)acetamide, <em>N</em>-Acetyl-<em>p</em>-aminobenzenesulfonyl chloride, <em>N</em>-Acetylsulfanilyl chloride, <em>N</em><sup>4</sup>-Acetylsulfanilyl chloride, <em>p</em>-(Acetylamino)benzenesulfonyl chloride, <em>p</em>-(Chlorosulfonyl)acetanilide, <em>p</em>-Acetamidobenzenesulfonyl chloride, <em>p</em>-Acetamidophenylsulfonyl chloride, <em>p</em>-Acetylaminophenylsulfonyl chloride, ASC, ASC (acetylsulfanilyl chloride), Acetanilide-<em>p</em>-sulfonyl chloride, Benzenesulfonyl chloride, 4-(acetylamino)-, Dagenan chloride, NSC 127860, Sulfanilyl chloride, <em>N</em>-acetyl-; object_uuid=fo-5dbd5fb9bbd39dee |
| 262,541 | consensus_match | cas_match_labels | — | {"121-60-8":"exactMatch"} | group_key=4-acetamidobenzenesulfonylchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'121-60-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5dbd5fb9bbd39dee: {'121-60-8': 'exactMatch'} |
| 278,377 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-acetamidobenzenesulfonyl Chloride' |
| 285,135 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | rdkit_post_consensus from 'CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,884 | strip_catalogue_altlabels | altLabel | [{"@value":"4-(Acetylamino)benzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"4-(Acetylamino)benzenesulfonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 1 catalogue altLabel value(s): 'NSC 127860' (registry code) |
| 337,098 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68cab938-7212-… | associations resolved on the elementary layer |
| 392,742 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8ClNO3S… | typed the way the ontology types it |
| 401,354 | 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/20260821T1302361922970000/17984 | prefLabel | ef:agent/bootstrap_labels | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v0 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v1 |
| ef:activity/change/20260821T1302361922970000/17985 | name | ef:agent/bootstrap_labels | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v1 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v2 |
| ef:activity/change/20260821T1302361922970000/17986 | synonyms | ef:agent/bootstrap_labels | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v2 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v3 |
| ef:activity/change/20260821T1302361922970000/112198 | context | ef:agent/default_context_mapping | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v3 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v4 |
| ef:activity/change/20260821T1302361922970000/112199 | context_iri | ef:agent/default_context_mapping | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v4 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v5 |
| ef:activity/change/20260821T1302361922970000/219228 | unit_iri | ef:agent/unit_normalization | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v5 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v6 |
| ef:activity/change/20260821T1302361922970000/225200 | prefLabel | ef:agent/normalize_name_case | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v6 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v7 |
| ef:activity/change/20260821T1302361922970000/244025 | properties | ef:agent/enrich_references | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v7 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v8 |
| ef:activity/change/20260821T1302361922970000/244026 | skos_definition | ef:agent/enrich_references | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v8 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v9 |
| ef:activity/change/20260821T1302361922970000/244027 | references | ef:agent/enrich_references | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v9 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v10 |
| ef:activity/change/20260821T1302361922970000/253171 | properties | ef:agent/rdkit_pre_consensus | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v10 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v11 |
| ef:activity/change/20260821T1302361922970000/262540 | altLabel | ef:agent/consensus_match | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v11 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v12 |
| ef:activity/change/20260821T1302361922970000/262541 | cas_match_labels | ef:agent/consensus_match | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v12 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v13 |
| ef:activity/change/20260821T1302361922970000/278377 | properties | ef:agent/opsin_iupac | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v13 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v14 |
| ef:activity/change/20260821T1302361922970000/285135 | properties | ef:agent/rdkit_post_consensus | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v14 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v15 |
| ef:activity/change/20260821T1302361922970000/290884 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v15 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v16 |
| ef:activity/change/20260821T1302361922970000/337098 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v16 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v17 |
| ef:activity/change/20260821T1302361922970000/392742 | properties | ef:agent/normalise_property_values | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v17 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v18 |
| ef:activity/change/20260821T1302361922970000/401354 | types | ef:agent/link_flows_to_their_substance | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v18 | ef:flow/68cab938-7212-402a-999d-29ae7f5b7db7/v19 |