N,n-diethylethanaminium Bromide
Everything that changed this flow. Back to the flow
e31a96b5-44c1-47de-b7f8-9c5268834e8d
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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,n-diethylethanaminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'636-70-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d43fec1d894c8fc0: {'636-70-4': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['636-70-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[12493, 2734074]; selected_pubchem_cids=[12493, 2734074]; 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 |
|---|---|---|---|---|---|
| 11,979 | bootstrap_labels | prefLabel | — | [{"@value":"n,n-diethylethanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 11,980 | bootstrap_labels | name | n,n-diethylethanaminium bromide | — | Purged legacy name field to enforce prefLabel usage |
| 11,981 | bootstrap_labels | synonyms | ["organic","triethylammoniumbromide","tea-hbr"] | [] | Removed legacy synonyms field in favor of structured labels |
| 185,900 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 185,901 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 217,309 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,871 | normalize_name_case | prefLabel | [{"@value":"n,n-diethylethanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"N,n-diethylethanaminium Bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,573 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 238,574 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,575 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.010.240","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['636-70-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[12493, 2734074]; selected_pubchem_cids=[12493, 2734074]; 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 |
| 251,591 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | rdkit_pre_consensus from 'CCN(CC)CC.Br'; added: molecular_mass, monoisotopic_mass |
| 269,195 | consensus_match | altLabel | [] | [{"@value":"Ethanamine, <em>N</em>,<em>N</em>-diethyl-, hydrobromide","@language":"en","source":{"prov:wasGeneratedBy":… | group_key=n,n-diethylethanaminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; cas=636-70-4; added Common Chemistry CAS names as altLabel: Ethanamine, <em>N</em>,<em>N</em>-diethyl-, hydrobromide, Ethanamine, <em>N</em>,<em>N</em>-diethyl-, hydrobromide (1:1), Triethylamine, hydrobromide, Triethylammonium bromide; object_uuid=fo-d43fec1d894c8fc0 |
| 269,196 | consensus_match | cas_match_labels | — | {"636-70-4":"exactMatch"} | group_key=n,n-diethylethanaminiumbromide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'636-70-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d43fec1d894c8fc0: {'636-70-4': 'exactMatch'} |
| 276,773 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethanamine, N,N-diethyl-, hydrobromide' |
| 283,409 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | rdkit_post_consensus from 'Br.CCN(CC)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,609 | dedupe_altlabels | altLabel | [{"@value":"Ethanamine, <em>N</em>,<em>N</em>-diethyl-, hydrobromide","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"Ethanamine, N,N-diethyl-, hydrobromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Deduplicated altLabel values and removed entries matching prefLabel |
| 373,977 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e31a96b5-44c1-… | associations resolved on the elementary layer |
| 391,127 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H16BrN"]… | typed the way the ontology types it |
| 399,030 | 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/20260822T0600486828500000/11979 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v0 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v1 |
| ef:activity/change/20260822T0600486828500000/11980 | name | ef:agent/bootstrap_labels | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v1 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v2 |
| ef:activity/change/20260822T0600486828500000/11981 | synonyms | ef:agent/bootstrap_labels | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v2 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v3 |
| ef:activity/change/20260822T0600486828500000/185900 | context | ef:agent/default_context_mapping | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v3 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v4 |
| ef:activity/change/20260822T0600486828500000/185901 | context_iri | ef:agent/default_context_mapping | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v4 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v5 |
| ef:activity/change/20260822T0600486828500000/217309 | unit_iri | ef:agent/unit_normalization | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v5 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v6 |
| ef:activity/change/20260822T0600486828500000/223871 | prefLabel | ef:agent/normalize_name_case | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v6 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v7 |
| ef:activity/change/20260822T0600486828500000/238573 | properties | ef:agent/enrich_references | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v7 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v8 |
| ef:activity/change/20260822T0600486828500000/238574 | skos_definition | ef:agent/enrich_references | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v8 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v9 |
| ef:activity/change/20260822T0600486828500000/238575 | references | ef:agent/enrich_references | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v9 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v10 |
| ef:activity/change/20260822T0600486828500000/251591 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v10 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v11 |
| ef:activity/change/20260822T0600486828500000/269195 | altLabel | ef:agent/consensus_match | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v11 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v12 |
| ef:activity/change/20260822T0600486828500000/269196 | cas_match_labels | ef:agent/consensus_match | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v12 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v13 |
| ef:activity/change/20260822T0600486828500000/276773 | properties | ef:agent/opsin_iupac | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v13 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v14 |
| ef:activity/change/20260822T0600486828500000/283409 | properties | ef:agent/rdkit_post_consensus | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v14 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v15 |
| ef:activity/change/20260822T0600486828500000/292609 | altLabel | ef:agent/dedupe_altlabels | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v15 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v16 |
| ef:activity/change/20260822T0600486828500000/373977 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v16 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v17 |
| ef:activity/change/20260822T0600486828500000/391127 | properties | ef:agent/normalise_property_values | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v17 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v18 |
| ef:activity/change/20260822T0600486828500000/399030 | types | ef:agent/link_flows_to_their_substance | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v18 | ef:flow/e31a96b5-44c1-47de-b7f8-9c5268834e8d/v19 |