Benzene-1,4-diamine Dihydrochloride
Everything that changed this flow. Back to the flow
442c5c03-9cae-4f40-b0f0-abeafe9ebe72
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): 'C.I. 76061' (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=benzene-1,4-diaminedihydrochloride||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'624-18-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-09c1cb2b59267d1a: {'624-18-0': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['624-18-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[7814, 12205, 120279, 875650, 10976103, 69015443]; selected_pubchem_cids=[12205]; 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 |
|---|---|---|---|---|---|
| 12,568 | bootstrap_labels | prefLabel | — | [{"@value":"benzene-1,4-diamine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 12,569 | bootstrap_labels | name | benzene-1,4-diamine dihydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 12,570 | bootstrap_labels | synonyms | ["organic","benzene-1,4-diaminedihydrochloride","p-phenylenediaminedihydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 81,868 | 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 |
| 81,869 | 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 |
| 217,498 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,007 | normalize_name_case | prefLabel | [{"@value":"benzene-1,4-diamine dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"Benzene-1,4-diamine Dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,119 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,120 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,121 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.009.850","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['624-18-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[7814, 12205, 120279, 875650, 10976103, 69015443]; selected_pubchem_cids=[12205]; 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 |
| 251,748 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | rdkit_pre_consensus from 'C1=CC(=CC=C1N)N.Cl.Cl'; added: molecular_mass, monoisotopic_mass |
| 264,099 | consensus_match | altLabel | [] | [{"@value":"1,4-Benzenediamine, dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=benzene-1,4-diaminedihydrochloride||dimension=Environmental > media=Air > strata=Long-term; cas=624-18-0; added Common Chemistry CAS names as altLabel: 1,4-Benzenediamine, dihydrochloride, 1,4-Benzenediamine, hydrochloride (1:2), 1,4-Diaminobenzene dihydrochloride, 1,4-Phenylenediamine dihydrochloride, <em>p</em>-Phenylenediamine, dihydrochloride, <em>p</em>-Phenylenediammonium dichloride, C.I. 76061, C.I. Oxidation Base 10A, Durafur Black RC, Fourrine 64, Fourrine DS, Pelagol CD, Pelagol Grey CD; object_uuid=fo-09c1cb2b59267d1a |
| 264,100 | consensus_match | cas_match_labels | — | {"624-18-0":"exactMatch"} | group_key=benzene-1,4-diaminedihydrochloride||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'624-18-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-09c1cb2b59267d1a: {'624-18-0': 'exactMatch'} |
| 276,935 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzene-1,4-diamine Dihydrochloride' |
| 283,585 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | rdkit_post_consensus from 'Cl.Cl.Nc1ccc(N)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,849 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Benzenediamine, dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"1,4-Benzenediamine, dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'C.I. 76061' (registry code) |
| 321,948 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/442c5c03-9cae-… | associations resolved on the elementary layer |
| 391,293 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10Cl2N2… | typed the way the ontology types it |
| 399,261 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1554374006150000/12568 | prefLabel | ef:agent/bootstrap_labels | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v0 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v1 |
| ef:activity/change/20260821T1554374006150000/12569 | name | ef:agent/bootstrap_labels | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v1 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v2 |
| ef:activity/change/20260821T1554374006150000/12570 | synonyms | ef:agent/bootstrap_labels | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v2 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v3 |
| ef:activity/change/20260821T1554374006150000/81868 | context | ef:agent/default_context_mapping | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v3 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v4 |
| ef:activity/change/20260821T1554374006150000/81869 | context_iri | ef:agent/default_context_mapping | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v4 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v5 |
| ef:activity/change/20260821T1554374006150000/217498 | unit_iri | ef:agent/unit_normalization | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v5 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v6 |
| ef:activity/change/20260821T1554374006150000/224007 | prefLabel | ef:agent/normalize_name_case | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v6 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v7 |
| ef:activity/change/20260821T1554374006150000/239119 | properties | ef:agent/enrich_references | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v7 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v8 |
| ef:activity/change/20260821T1554374006150000/239120 | skos_definition | ef:agent/enrich_references | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v8 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v9 |
| ef:activity/change/20260821T1554374006150000/239121 | references | ef:agent/enrich_references | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v9 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v10 |
| ef:activity/change/20260821T1554374006150000/251748 | properties | ef:agent/rdkit_pre_consensus | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v10 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v11 |
| ef:activity/change/20260821T1554374006150000/264099 | altLabel | ef:agent/consensus_match | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v11 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v12 |
| ef:activity/change/20260821T1554374006150000/264100 | cas_match_labels | ef:agent/consensus_match | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v12 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v13 |
| ef:activity/change/20260821T1554374006150000/276935 | properties | ef:agent/opsin_iupac | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v13 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v14 |
| ef:activity/change/20260821T1554374006150000/283585 | properties | ef:agent/rdkit_post_consensus | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v14 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v15 |
| ef:activity/change/20260821T1554374006150000/289849 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v15 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v16 |
| ef:activity/change/20260821T1554374006150000/321948 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v16 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v17 |
| ef:activity/change/20260821T1554374006150000/391293 | properties | ef:agent/normalise_property_values | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v17 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v18 |
| ef:activity/change/20260821T1554374006150000/399261 | types | ef:agent/link_flows_to_their_substance | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v18 | ef:flow/442c5c03-9cae-4f40-b0f0-abeafe9ebe72/v19 |