2-chloro-n,n-diethylethanaminium Chloride
Everything that changed this flow. Back to the flow
4db0338b-9ebc-4a3e-b595-077d40e53e53
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=2-chloro-n,n-diethylethanaminiumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'869-24-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-842e63cffd7bbdd7: {'869-24-9': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['869-24-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[13363, 13364, 15836637, 74764624]; selected_pubchem_cids=[13363, 74764624]; 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 |
|---|---|---|---|---|---|
| 515 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-n,n-diethylethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 516 | bootstrap_labels | name | 2-chloro-n,n-diethylethanaminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 517 | bootstrap_labels | synonyms | ["organic","2-chloroethyldiethylammoniumchloride","dec","dec.hcl"] | [] | Removed legacy synonyms field in favor of structured labels |
| 96,074 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 96,075 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,511 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,213 | normalize_name_case | prefLabel | [{"@value":"2-chloro-n,n-diethylethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"2-chloro-n,n-diethylethanaminium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,663 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 227,664 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,665 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.011.625","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['869-24-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[13363, 13364, 15836637, 74764624]; selected_pubchem_cids=[13363, 74764624]; 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 |
| 248,456 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | rdkit_pre_consensus from 'CCN(CC)CCCl.Cl'; added: molecular_mass, monoisotopic_mass |
| 260,686 | consensus_match | altLabel | [] | [{"@value":"(2-Chloroethyl)diethylamine monohydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=2-chloro-n,n-diethylethanaminiumchloride||dimension=Environmental > media=Ground > geography=Agricultural; cas=869-24-9; added Common Chemistry CAS names as altLabel: (2-Chloroethyl)diethylamine monohydrochloride, (<em>N</em>,<em>N</em>-Diethylamino)ethyl chloride hydrochloride, 1-Chloro-2-(<em>N</em>,<em>N</em>-diethylamino)ethane hydrochloride, 1-Chloro-2-(diethylamino)ethane hydrochloride, 2-(<em>N</em>,<em>N</em>-Diethylamino)ethyl chloride hydrochloride, 2-(Diethylamino)ethyl chloride hydrochloric acid salt, 2-(Diethylamino)ethyl chloride hydrochloride, 2-Chloro-<em>N</em>,<em>N</em>-diethylethan-1-amine hydrochloride, 2-Chloro-<em>N</em>,<em>N</em>-diethylethanamine hydrochloride, 2-Chloro-<em>N</em>,<em>N</em>-diethylethylamine hydrochloride, 2-Chloroethyl-<em>N</em>,<em>N</em>-diethylamine hydrochloride, 2-Chloroethyldiethylammonium chloride, 2-Chlorotriethylamine hydrochloride, 2-Diethylaminoethyl chloride monohydrochloride, <em>N</em>,<em>N</em>-Diethyl-2-chloroethylamine hydrochloride, <em>N</em>,<em>N</em>-Diethyl-β-chloroethylamine hydrochloride, <em>N</em>-(2-Chloroethyl)diethylamine hydrochloride, <em>N</em>-2-Chloroethyl-<em>N</em>,<em>N</em>-diethylammonium hydrochloride, Ethanamine, 2-chloro-<em>N</em>,<em>N</em>-diethyl-, hydrochloride, Ethanamine, 2-chloro-<em>N</em>,<em>N</em>-diethyl-, hydrochloride (1:1), Triethylamine, 2-chloro-, hydrochloride, β-(Diethylamino)ethyl chloride hydrochloride, β-Chloroethyldiethylamine hydrochloride; object_uuid=fo-842e63cffd7bbdd7 |
| 260,687 | consensus_match | cas_match_labels | — | {"869-24-9":"exactMatch"} | group_key=2-chloro-n,n-diethylethanaminiumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'869-24-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-842e63cffd7bbdd7: {'869-24-9': 'exactMatch'} |
| 273,596 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2-Chloroethyl)diethylamine monohydrochloride' |
| 279,957 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | rdkit_post_consensus from 'CCN(CC)CCCl.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,995 | dedupe_altlabels | altLabel | [{"@value":"(2-Chloroethyl)diethylamine monohydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | [{"@value":"(2-Chloroethyl)diethylamine monohydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | Deduplicated altLabel values and removed entries matching prefLabel |
| 329,055 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4db0338b-9ebc-… | associations resolved on the elementary layer |
| 387,872 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2N"… | typed the way the ontology types it |
| 394,392 | 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/20260820T1416470405690000/515 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v0 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v1 |
| ef:activity/change/20260820T1416470405690000/516 | name | ef:agent/bootstrap_labels | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v1 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v2 |
| ef:activity/change/20260820T1416470405690000/517 | synonyms | ef:agent/bootstrap_labels | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v2 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v3 |
| ef:activity/change/20260820T1416470405690000/96074 | context | ef:agent/default_context_mapping | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v3 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v4 |
| ef:activity/change/20260820T1416470405690000/96075 | context_iri | ef:agent/default_context_mapping | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v4 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v5 |
| ef:activity/change/20260820T1416470405690000/213511 | unit_iri | ef:agent/unit_normalization | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v5 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v6 |
| ef:activity/change/20260820T1416470405690000/221213 | prefLabel | ef:agent/normalize_name_case | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v6 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v7 |
| ef:activity/change/20260820T1416470405690000/227663 | properties | ef:agent/enrich_references | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v7 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v8 |
| ef:activity/change/20260820T1416470405690000/227664 | skos_definition | ef:agent/enrich_references | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v8 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v9 |
| ef:activity/change/20260820T1416470405690000/227665 | references | ef:agent/enrich_references | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v9 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v10 |
| ef:activity/change/20260820T1416470405690000/248456 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v10 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v11 |
| ef:activity/change/20260820T1416470405690000/260686 | altLabel | ef:agent/consensus_match | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v11 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v12 |
| ef:activity/change/20260820T1416470405690000/260687 | cas_match_labels | ef:agent/consensus_match | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v12 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v13 |
| ef:activity/change/20260820T1416470405690000/273596 | properties | ef:agent/opsin_iupac | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v13 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v14 |
| ef:activity/change/20260820T1416470405690000/279957 | properties | ef:agent/rdkit_post_consensus | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v14 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v15 |
| ef:activity/change/20260820T1416470405690000/291995 | altLabel | ef:agent/dedupe_altlabels | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v15 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v16 |
| ef:activity/change/20260820T1416470405690000/329055 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v16 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v17 |
| ef:activity/change/20260820T1416470405690000/387872 | properties | ef:agent/normalise_property_values | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v17 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v18 |
| ef:activity/change/20260820T1416470405690000/394392 | types | ef:agent/link_flows_to_their_substance | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v18 | ef:flow/4db0338b-9ebc-4a3e-b595-077d40e53e53/v19 |