4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride
Everything that changed this flow. Back to the flow
66965fde-dc4b-4c75-b1f4-785711400947
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | 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=4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=816431-72-8; added Common Chemistry CAS names as altLabel: 4-[[(2-Methoxybenzoyl)amino]sulfonyl]benzoyl chloride, Benzoyl chloride, 4-[[(2-methoxybenzoyl)amino]sulfonyl]-; object_uuid=fo-dadd84f4df77ba31 |
| cas_match_labels | 1 | consensus_match | group_key=4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=[]; cas_sources={'816431-72-8': []}; assigned CAS labels from group consensus; object_uuid=fo-dadd84f4df77ba31: {'816431-72-8': '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 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=['816431-72-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[165364912]; selected_pubchem_cids=[165364912]; 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 |
|---|---|---|---|---|---|
| 21,319 | bootstrap_labels | prefLabel | — | [{"@value":"4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 21,320 | bootstrap_labels | name | 4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 21,321 | bootstrap_labels | synonyms | ["organic","benzoylchloride,4-[[(2-methoxybenzoyl)amino]sulfonyl]-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 110,878 | 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) |
| 110,879 | 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) |
| 220,190 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,919 | normalize_name_case | prefLabel | [{"@value":"4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,698 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H24Cl2N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,699 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,700 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.112.246","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['816431-72-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[165364912]; selected_pubchem_cids=[165364912]; 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 |
| 253,950 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H24Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H24Cl2N… | rdkit_pre_consensus from 'COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl.COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 262,956 | consensus_match | altLabel | [] | [{"@value":"4-[[(2-Methoxybenzoyl)amino]sulfonyl]benzoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"co… | group_key=4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=816431-72-8; added Common Chemistry CAS names as altLabel: 4-[[(2-Methoxybenzoyl)amino]sulfonyl]benzoyl chloride, Benzoyl chloride, 4-[[(2-methoxybenzoyl)amino]sulfonyl]-; object_uuid=fo-dadd84f4df77ba31 |
| 262,957 | consensus_match | cas_match_labels | — | {"816431-72-8":"exactMatch"} | group_key=4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoylchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=[]; cas_sources={'816431-72-8': []}; assigned CAS labels from group consensus; object_uuid=fo-dadd84f4df77ba31: {'816431-72-8': 'exactMatch'} |
| 279,140 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H24Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H24Cl2N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride' |
| 285,994 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H24Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12ClNO… | rdkit_post_consensus from 'COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,699 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12ClNO… | withhold_contradicted_composition: the registry registers [(('C', 15), ('Cl', 1), ('N', 1), ('O', 5), ('S', 1))], contradicting ['C30H24Cl2N2O10S2'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 336,438 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/66965fde-dc4b-… | associations resolved on the elementary layer |
| 393,530 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H12ClNO… | typed the way the ontology types it |
| 402,563 | 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/20260821T1554374006150000/21319 | prefLabel | ef:agent/bootstrap_labels | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v0 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v1 |
| ef:activity/change/20260821T1554374006150000/21320 | name | ef:agent/bootstrap_labels | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v1 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v2 |
| ef:activity/change/20260821T1554374006150000/21321 | synonyms | ef:agent/bootstrap_labels | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v2 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v3 |
| ef:activity/change/20260821T1554374006150000/110878 | context | ef:agent/default_context_mapping | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v3 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v4 |
| ef:activity/change/20260821T1554374006150000/110879 | context_iri | ef:agent/default_context_mapping | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v4 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v5 |
| ef:activity/change/20260821T1554374006150000/220190 | unit_iri | ef:agent/unit_normalization | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v5 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v6 |
| ef:activity/change/20260821T1554374006150000/225919 | prefLabel | ef:agent/normalize_name_case | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v6 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v7 |
| ef:activity/change/20260821T1554374006150000/246698 | properties | ef:agent/enrich_references | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v7 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v8 |
| ef:activity/change/20260821T1554374006150000/246699 | skos_definition | ef:agent/enrich_references | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v8 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v9 |
| ef:activity/change/20260821T1554374006150000/246700 | references | ef:agent/enrich_references | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v9 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v10 |
| ef:activity/change/20260821T1554374006150000/253950 | properties | ef:agent/rdkit_pre_consensus | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v10 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v11 |
| ef:activity/change/20260821T1554374006150000/262956 | altLabel | ef:agent/consensus_match | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v11 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v12 |
| ef:activity/change/20260821T1554374006150000/262957 | cas_match_labels | ef:agent/consensus_match | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v12 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v13 |
| ef:activity/change/20260821T1554374006150000/279140 | properties | ef:agent/opsin_iupac | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v13 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v14 |
| ef:activity/change/20260821T1554374006150000/285994 | properties | ef:agent/rdkit_post_consensus | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v14 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v15 |
| ef:activity/change/20260821T1554374006150000/286699 | properties | ef:agent/withhold_contradicted_composition | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v15 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v16 |
| ef:activity/change/20260821T1554374006150000/336438 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v16 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v17 |
| ef:activity/change/20260821T1554374006150000/393530 | properties | ef:agent/normalise_property_values | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v17 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v18 |
| ef:activity/change/20260821T1554374006150000/402563 | types | ef:agent/link_flows_to_their_substance | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v18 | ef:flow/66965fde-dc4b-4c75-b1f4-785711400947/v19 |