3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminium Chloride
Everything that changed this flow. Back to the flow
71cc9d1a-13e6-4047-b273-38f78bb0eb3e
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=3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'78181-99-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7f880305a0c38460: {'78181-99-4': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['78181-99-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[166502, 6441372]; selected_pubchem_cids=[166502]; 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 |
|---|---|---|---|---|---|
| 15,112 | bootstrap_labels | prefLabel | — | [{"@value":"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)e… | Bootstrapped prefLabel from legacy name field |
| 15,113 | bootstrap_labels | name | 3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-di… | — | Purged legacy name field to enforce prefLabel usage |
| 15,114 | bootstrap_labels | synonyms | ["organic","[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl][3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoa… | [] | Removed legacy synonyms field in favor of structured labels |
| 117,506 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 117,507 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 218,317 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,578 | normalize_name_case | prefLabel | [{"@value":"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)e… | [{"@value":"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)e… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,457 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,458 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,459 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.071.670","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['78181-99-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[166502, 6441372]; selected_pubchem_cids=[166502]; 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 |
| 252,432 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | rdkit_pre_consensus from 'CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C#N.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 261,834 | consensus_match | altLabel | [] | [{"@value":"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-<em>N</em>-[2-[[2-cyano-3-… | group_key=3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Ocean; cas=78181-99-4; added Common Chemistry CAS names as altLabel: 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-<em>N</em>-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-<em>N</em>,<em>N</em>-dimethyl-, chloride (1:1), 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]-<em>N</em>-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-<em>N</em>,<em>N</em>-dimethyl-, chloride; object_uuid=fo-7f880305a0c38460 |
| 261,835 | consensus_match | cas_match_labels | — | {"78181-99-4":"exactMatch"} | group_key=3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-n-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-n,n-dimethylpropan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'78181-99-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7f880305a0c38460: {'78181-99-4': 'exactMatch'} |
| 277,625 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl-, chloride (1:1)' |
| 284,324 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | rdkit_post_consensus from 'CCN(CC)c1ccc(C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(C#N)=Cc2ccc(N(CC)CC)cc2)cc1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,806 | dedupe_altlabels | altLabel | [{"@value":"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-<em>N</em>-[2-[[2-cyano-3-… | [{"@value":"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(dieth… | Deduplicated altLabel values and removed entries matching prefLabel |
| 339,751 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71cc9d1a-13e6-… | associations resolved on the elementary layer |
| 391,980 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C35H46ClN5… | typed the way the ontology types it |
| 400,252 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/15112 | prefLabel | ef:agent/bootstrap_labels | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v0 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v1 |
| ef:activity/change/20260821T1554374006150000/15113 | name | ef:agent/bootstrap_labels | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v1 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v2 |
| ef:activity/change/20260821T1554374006150000/15114 | synonyms | ef:agent/bootstrap_labels | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v2 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v3 |
| ef:activity/change/20260821T1554374006150000/117506 | context | ef:agent/default_context_mapping | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v3 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v4 |
| ef:activity/change/20260821T1554374006150000/117507 | context_iri | ef:agent/default_context_mapping | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v4 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v5 |
| ef:activity/change/20260821T1554374006150000/218317 | unit_iri | ef:agent/unit_normalization | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v5 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v6 |
| ef:activity/change/20260821T1554374006150000/224578 | prefLabel | ef:agent/normalize_name_case | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v6 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v7 |
| ef:activity/change/20260821T1554374006150000/241457 | properties | ef:agent/enrich_references | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v7 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v8 |
| ef:activity/change/20260821T1554374006150000/241458 | skos_definition | ef:agent/enrich_references | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v8 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v9 |
| ef:activity/change/20260821T1554374006150000/241459 | references | ef:agent/enrich_references | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v9 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v10 |
| ef:activity/change/20260821T1554374006150000/252432 | properties | ef:agent/rdkit_pre_consensus | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v10 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v11 |
| ef:activity/change/20260821T1554374006150000/261834 | altLabel | ef:agent/consensus_match | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v11 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v12 |
| ef:activity/change/20260821T1554374006150000/261835 | cas_match_labels | ef:agent/consensus_match | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v12 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v13 |
| ef:activity/change/20260821T1554374006150000/277625 | properties | ef:agent/opsin_iupac | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v13 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v14 |
| ef:activity/change/20260821T1554374006150000/284324 | properties | ef:agent/rdkit_post_consensus | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v14 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v15 |
| ef:activity/change/20260821T1554374006150000/292806 | altLabel | ef:agent/dedupe_altlabels | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v15 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v16 |
| ef:activity/change/20260821T1554374006150000/339751 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v16 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v17 |
| ef:activity/change/20260821T1554374006150000/391980 | properties | ef:agent/normalise_property_values | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v17 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v18 |
| ef:activity/change/20260821T1554374006150000/400252 | types | ef:agent/link_flows_to_their_substance | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v18 | ef:flow/71cc9d1a-13e6-4047-b273-38f78bb0eb3e/v19 |