4,6-dichloropyrimidine
Everything that changed this flow. Back to the flow
4c084d15-e4f1-4b2e-8035-260425a47d58
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 37530' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1193-21-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[70943, 184071, 53429638]; selected_pubchem_cids=[70943]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,506 | bootstrap_labels | prefLabel | — | [{"@value":"4,6-dichloropyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 4,507 | bootstrap_labels | name | 4,6-dichloropyrimidine | — | Purged legacy name field to enforce prefLabel usage |
| 4,508 | bootstrap_labels | synonyms | ["organic","4,6-dichloropyrimidine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 86,314 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 86,315 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,844 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,513 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,514 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,515 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J865F","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['1193-21-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[70943, 184071, 53429638]; selected_pubchem_cids=[70943]; 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 |
| 249,561 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | rdkit_pre_consensus from 'C1=C(N=CN=C1Cl)Cl'; added: molecular_mass, monoisotopic_mass |
| 262,417 | consensus_match | altLabel | [] | [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"conse… | group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085 |
| 262,418 | consensus_match | cas_match_labels | — | {"1193-21-1":"exactMatch"} | group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'} |
| 274,696 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4,6-dichloropyrimidine' |
| 281,156 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | rdkit_post_consensus from 'Clc1cc(Cl)ncn1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,174 | strip_catalogue_altlabels | altLabel | [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"conse… | [{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 37530' (registry code) |
| 324,173 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4c084d15-e4f1-… | associations resolved on the elementary layer |
| 389,004 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2N2"… | typed the way the ontology types it |
| 395,970 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1302361922970000/4506 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v0 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v1 |
| ef:activity/change/20260821T1302361922970000/4507 | name | ef:agent/bootstrap_labels | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v1 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v2 |
| ef:activity/change/20260821T1302361922970000/4508 | synonyms | ef:agent/bootstrap_labels | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v2 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v3 |
| ef:activity/change/20260821T1302361922970000/86314 | context | ef:agent/default_context_mapping | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v3 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v4 |
| ef:activity/change/20260821T1302361922970000/86315 | context_iri | ef:agent/default_context_mapping | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v4 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v5 |
| ef:activity/change/20260821T1302361922970000/214844 | unit_iri | ef:agent/unit_normalization | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v5 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v6 |
| ef:activity/change/20260821T1302361922970000/231513 | properties | ef:agent/enrich_references | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v6 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v7 |
| ef:activity/change/20260821T1302361922970000/231514 | skos_definition | ef:agent/enrich_references | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v7 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v8 |
| ef:activity/change/20260821T1302361922970000/231515 | references | ef:agent/enrich_references | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v8 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v9 |
| ef:activity/change/20260821T1302361922970000/249561 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v9 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v10 |
| ef:activity/change/20260821T1302361922970000/262417 | altLabel | ef:agent/consensus_match | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v10 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v11 |
| ef:activity/change/20260821T1302361922970000/262418 | cas_match_labels | ef:agent/consensus_match | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v11 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v12 |
| ef:activity/change/20260821T1302361922970000/274696 | properties | ef:agent/opsin_iupac | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v12 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v13 |
| ef:activity/change/20260821T1302361922970000/281156 | properties | ef:agent/rdkit_post_consensus | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v13 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v14 |
| ef:activity/change/20260821T1302361922970000/288174 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v14 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v15 |
| ef:activity/change/20260821T1302361922970000/324173 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v15 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v16 |
| ef:activity/change/20260821T1302361922970000/389004 | properties | ef:agent/normalise_property_values | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v16 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v17 |
| ef:activity/change/20260821T1302361922970000/395970 | types | ef:agent/link_flows_to_their_substance | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v17 | ef:flow/4c084d15-e4f1-4b2e-8035-260425a47d58/v18 |