N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
Everything that changed this flow. Back to the flow
68d420de-4fa3-48fd-98d7-bb5f8843d7f8
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 2 catalogue altLabel value(s): 'C.I. 37613' (registry code), 'NSC 50638' (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=n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4433-79-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8682e076a3903656: {'4433-79-8': '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=['4433-79-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[78170, 14274295]; selected_pubchem_cids=[78170]; 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 |
|---|---|---|---|---|---|
| 7 | bootstrap_labels | prefLabel | — | [{"@value":"n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Bootstrapped prefLabel from legacy name field |
| 8 | bootstrap_labels | name | n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide | — | Purged legacy name field to enforce prefLabel usage |
| 9 | bootstrap_labels | synonyms | ["organic","4'","-chloro-2'",",5'","-dimethoxyacetoacetanilide","aadmc","acetoacet-4-chloro-2,5-dimethoxyan… | [] | Removed legacy synonyms field in favor of structured labels |
| 112,234 | 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) |
| 112,235 | 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) |
| 213,340 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,102 | normalize_name_case | prefLabel | [{"@value":"n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | [{"@value":"N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,171 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,172 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,173 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.727K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['4433-79-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[78170, 14274295]; selected_pubchem_cids=[78170]; 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 |
| 248,309 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | rdkit_pre_consensus from 'CC(=O)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC'; added: molecular_mass, monoisotopic_mass |
| 269,374 | consensus_match | altLabel | [] | [{"@value":"1-Acetoacetylamino-2,5-dimethoxy-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide||dimension=Environmental > media=Ground > geography=Unknown; cas=4433-79-8; added Common Chemistry CAS names as altLabel: 1-Acetoacetylamino-2,5-dimethoxy-4-chlorobenzene, 1-Acetoacetylamino-4-chloro-2,5-dimethoxy-benzene, 2,5-Dimethoxy-4-chloro-<em>N</em>-acetoacetyl aniline, 2,5-Dimethoxy-4-chloroacetoacetanilide, 4′-Chloro-2′,5′-dimethoxyacetoacetanilide, <em>N</em>-(2,5-Dimethoxy-4-chlorophenyl)-3-oxobutanamide, <em>N</em>-(2,5-Dimethoxy-4-chlorophenyl)acetoacetamide, <em>N</em>-Acetoacetyl-4-chloro-2,5-dimethoxyaniline, <em>N</em>-Acetoacetyl-5-chloro-2-amino-1,4-dimethoxybenzene, Acetoacetanilide, 4′-chloro-2′,5′-dimethoxy-, Acetoaceto-2,5-dimethoxy-4-chloroanilide, Acetoacetyl-2,5-dimethoxy-4-chloroanilide, Butanamide, <em>N</em>-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-, C.I. 37613, C.I. Azoic Coupling Component 44, NSC 50638, Naftol AS-IRG, Naphtanilide LRG, Naphtazol 4J, Naphthol AS 13GH, Naphthol AS-IRG, Naphtol AS-IRG, Naphtol AS-LGLL, Napthol ASIRG, Yellow Base GC; object_uuid=fo-8682e076a3903656 |
| 269,375 | consensus_match | cas_match_labels | — | {"4433-79-8":"exactMatch"} | group_key=n-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4433-79-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8682e076a3903656: {'4433-79-8': 'exactMatch'} |
| 273,452 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide' |
| 279,802 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | rdkit_post_consensus from 'COc1cc(NC(=O)CC(C)=O)c(OC)cc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,270 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Acetoacetylamino-2,5-dimethoxy-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consens… | [{"@value":"1-Acetoacetylamino-2,5-dimethoxy-4-chlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 2 catalogue altLabel value(s): 'C.I. 37613' (registry code), 'NSC 50638' (registry code) |
| 337,136 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68d420de-4fa3-… | associations resolved on the elementary layer |
| 387,733 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14ClNO… | typed the way the ontology types it |
| 394,183 | 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/20260820T0738569779880000/7 | prefLabel | ef:agent/bootstrap_labels | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v0 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v1 |
| ef:activity/change/20260820T0738569779880000/8 | name | ef:agent/bootstrap_labels | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v1 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v2 |
| ef:activity/change/20260820T0738569779880000/9 | synonyms | ef:agent/bootstrap_labels | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v2 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v3 |
| ef:activity/change/20260820T0738569779880000/112234 | context | ef:agent/default_context_mapping | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v3 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v4 |
| ef:activity/change/20260820T0738569779880000/112235 | context_iri | ef:agent/default_context_mapping | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v4 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v5 |
| ef:activity/change/20260820T0738569779880000/213340 | unit_iri | ef:agent/unit_normalization | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v5 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v6 |
| ef:activity/change/20260820T0738569779880000/221102 | prefLabel | ef:agent/normalize_name_case | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v6 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v7 |
| ef:activity/change/20260820T0738569779880000/227171 | properties | ef:agent/enrich_references | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v7 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v8 |
| ef:activity/change/20260820T0738569779880000/227172 | skos_definition | ef:agent/enrich_references | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v8 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v9 |
| ef:activity/change/20260820T0738569779880000/227173 | references | ef:agent/enrich_references | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v9 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v10 |
| ef:activity/change/20260820T0738569779880000/248309 | properties | ef:agent/rdkit_pre_consensus | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v10 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v11 |
| ef:activity/change/20260820T0738569779880000/269374 | altLabel | ef:agent/consensus_match | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v11 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v12 |
| ef:activity/change/20260820T0738569779880000/269375 | cas_match_labels | ef:agent/consensus_match | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v12 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v13 |
| ef:activity/change/20260820T0738569779880000/273452 | properties | ef:agent/opsin_iupac | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v13 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v14 |
| ef:activity/change/20260820T0738569779880000/279802 | properties | ef:agent/rdkit_post_consensus | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v14 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v15 |
| ef:activity/change/20260820T0738569779880000/287270 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v15 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v16 |
| ef:activity/change/20260820T0738569779880000/337136 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v16 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v17 |
| ef:activity/change/20260820T0738569779880000/387733 | properties | ef:agent/normalise_property_values | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v17 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v18 |
| ef:activity/change/20260820T0738569779880000/394183 | types | ef:agent/link_flows_to_their_substance | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v18 | ef:flow/68d420de-4fa3-48fd-98d7-bb5f8843d7f8/v19 |