Ethyl 2-cyano-3-ethoxyacrylate
Everything that changed this flow. Back to the flow
077dbc25-ea78-4ea3-ba4e-f1d13492f4e7
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 3 catalogue altLabel value(s): 'NSC 27797' (registry code), 'NSC 31579' (registry code), 'NSC 62026' (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=ethyl2-cyano-3-ethoxyacrylate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'94-05-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4883a1f198ec07b5: {'94-05-3': '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=['94-05-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[78943, 1550346, 1715183, 53486301]; selected_pubchem_cids=[78943]; 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 |
|---|---|---|---|---|---|
| 5,994 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl 2-cyano-3-ethoxyacrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 5,995 | bootstrap_labels | name | ethyl 2-cyano-3-ethoxyacrylate | — | Purged legacy name field to enforce prefLabel usage |
| 5,996 | bootstrap_labels | synonyms | ["organic","ethyl2-cyano-3-ethoxyacrylate","emcae"] | [] | Removed legacy synonyms field in favor of structured labels |
| 31,192 | 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 |
| 31,193 | 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 |
| 215,341 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,477 | normalize_name_case | prefLabel | [{"@value":"ethyl 2-cyano-3-ethoxyacrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Ethyl 2-cyano-3-ethoxyacrylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,944 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,945 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,946 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=94-05-3","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['94-05-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[78943, 1550346, 1715183, 53486301]; selected_pubchem_cids=[78943]; 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 |
| 249,977 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | rdkit_pre_consensus from 'CCOC=C(C#N)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 266,829 | consensus_match | altLabel | [] | [{"@value":"2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=ethyl2-cyano-3-ethoxyacrylate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=94-05-3; added Common Chemistry CAS names as altLabel: 2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester, 2-Cyano-3-ethoxy-2-propenoic acid ethyl ester, 2-Cyano-3-ethoxyacrylic acid ethyl ester, 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester, Ethyl (ethoxymethylene)cyanoacetate, Ethyl 2-(ethoxymethylene)-2-cyanoacetate, Ethyl 2-cyano-2-(ethoxymethylene)acetate, Ethyl 2-cyano-3-(ethyloxy)-2-propenoate, Ethyl 2-cyano-3-ethoxy-2-propenoate, Ethyl 2-cyano-3-ethoxypropenoate, Ethyl 2-ethoxymethylidenecyanoacetate, Ethyl 3-ethoxy-2-cyanoacrylate, Ethyl cyano(ethoxymethylene)acetate, Ethyl cyano(ethoxymethylidene)acetate, Ethyl α-(ethoxymethylene)-α-cyanoacetate, NSC 27797, NSC 31579, NSC 62026; object_uuid=fo-4883a1f198ec07b5 |
| 266,830 | consensus_match | cas_match_labels | — | {"94-05-3":"exactMatch"} | group_key=ethyl2-cyano-3-ethoxyacrylate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'94-05-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4883a1f198ec07b5: {'94-05-3': 'exactMatch'} |
| 275,110 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl 2-cyano-3-ethoxyacrylate' |
| 281,607 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | rdkit_post_consensus from 'CCOC=C(C#N)C(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,476 | strip_catalogue_altlabels | altLabel | [{"@value":"2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"conse… | Removed 3 catalogue altLabel value(s): 'NSC 27797' (registry code), 'NSC 31579' (registry code), 'NSC 62026' (registry code) |
| 296,635 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/077dbc25-ea78-… | associations resolved on the elementary layer |
| 389,418 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H11NO3"]… | typed the way the ontology types it |
| 396,562 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/5994 | prefLabel | ef:agent/bootstrap_labels | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v0 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v1 |
| ef:activity/change/20260822T0600486828500000/5995 | name | ef:agent/bootstrap_labels | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v1 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v2 |
| ef:activity/change/20260822T0600486828500000/5996 | synonyms | ef:agent/bootstrap_labels | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v2 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v3 |
| ef:activity/change/20260822T0600486828500000/31192 | context | ef:agent/default_context_mapping | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v3 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v4 |
| ef:activity/change/20260822T0600486828500000/31193 | context_iri | ef:agent/default_context_mapping | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v4 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v5 |
| ef:activity/change/20260822T0600486828500000/215341 | unit_iri | ef:agent/unit_normalization | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v5 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v6 |
| ef:activity/change/20260822T0600486828500000/222477 | prefLabel | ef:agent/normalize_name_case | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v6 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v7 |
| ef:activity/change/20260822T0600486828500000/232944 | properties | ef:agent/enrich_references | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v7 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v8 |
| ef:activity/change/20260822T0600486828500000/232945 | skos_definition | ef:agent/enrich_references | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v8 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v9 |
| ef:activity/change/20260822T0600486828500000/232946 | references | ef:agent/enrich_references | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v9 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v10 |
| ef:activity/change/20260822T0600486828500000/249977 | properties | ef:agent/rdkit_pre_consensus | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v10 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v11 |
| ef:activity/change/20260822T0600486828500000/266829 | altLabel | ef:agent/consensus_match | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v11 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v12 |
| ef:activity/change/20260822T0600486828500000/266830 | cas_match_labels | ef:agent/consensus_match | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v12 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v13 |
| ef:activity/change/20260822T0600486828500000/275110 | properties | ef:agent/opsin_iupac | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v13 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v14 |
| ef:activity/change/20260822T0600486828500000/281607 | properties | ef:agent/rdkit_post_consensus | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v14 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v15 |
| ef:activity/change/20260822T0600486828500000/288476 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v15 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v16 |
| ef:activity/change/20260822T0600486828500000/296635 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v16 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v17 |
| ef:activity/change/20260822T0600486828500000/389418 | properties | ef:agent/normalise_property_values | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v17 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v18 |
| ef:activity/change/20260822T0600486828500000/396562 | types | ef:agent/link_flows_to_their_substance | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v18 | ef:flow/077dbc25-ea78-4ea3-ba4e-f1d13492f4e7/v19 |