Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate
Everything that changed this flow. Back to the flow
daaa224e-7d37-4e31-968c-a2dce143c7c8
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=methyl5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=674773-13-8; added Common Chemistry CAS names as altLabel: 3-Thiopheneacetic acid, 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-, methyl ester, Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetate, Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)-2-thiophenecarboxylate; object_uuid=fo-cd3a433b24e6febd |
| cas_match_labels | 1 | consensus_match | group_key=methyl5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'674773-13-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cd3a433b24e6febd: {'674773-13-8': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['674773-13-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[11516837]; selected_pubchem_cids=[11516837]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,097 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate","@langua… | Bootstrapped prefLabel from legacy name field |
| 2,098 | bootstrap_labels | name | methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 2,099 | bootstrap_labels | synonyms | ["organic","70367010thiofestermetkrist(sra11vt)70362010thiofestermet(thi13vt)(servier)","thiofestermet"] | [] | Removed legacy synonyms field in favor of structured labels |
| 180,136 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 180,137 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 214,038 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,576 | normalize_name_case | prefLabel | [{"@value":"methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate","@langua… | [{"@value":"Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate","@langua… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,195 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,196 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,197 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.104.296","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['674773-13-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[11516837]; selected_pubchem_cids=[11516837]; 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 |
| 248,897 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | rdkit_pre_consensus from 'COC(=O)CC1=C(SC(=C1C#N)N(CC(=O)OC)CC(=O)OC)C(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 268,779 | consensus_match | altLabel | [] | [{"@value":"3-Thiopheneacetic acid, 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-, methyl ester","@la… | group_key=methyl5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=674773-13-8; added Common Chemistry CAS names as altLabel: 3-Thiopheneacetic acid, 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-, methyl ester, Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetate, Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)-2-thiophenecarboxylate; object_uuid=fo-cd3a433b24e6febd |
| 268,780 | consensus_match | cas_match_labels | — | {"674773-13-8":"exactMatch"} | group_key=methyl5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'674773-13-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cd3a433b24e6febd: {'674773-13-8': 'exactMatch'} |
| 274,017 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate' |
| 280,422 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | rdkit_post_consensus from 'COC(=O)Cc1c(C(=O)OC)sc(N(CC(=O)OC)CC(=O)OC)c1C#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 371,094 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/daaa224e-7d37-… | associations resolved on the elementary layer |
| 388,307 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18N2O8… | typed the way the ontology types it |
| 394,984 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/2097 | prefLabel | ef:agent/bootstrap_labels | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v0 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v1 |
| ef:activity/change/20260822T0600486828500000/2098 | name | ef:agent/bootstrap_labels | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v1 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v2 |
| ef:activity/change/20260822T0600486828500000/2099 | synonyms | ef:agent/bootstrap_labels | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v2 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v3 |
| ef:activity/change/20260822T0600486828500000/180136 | context | ef:agent/default_context_mapping | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v3 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v4 |
| ef:activity/change/20260822T0600486828500000/180137 | context_iri | ef:agent/default_context_mapping | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v4 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v5 |
| ef:activity/change/20260822T0600486828500000/214038 | unit_iri | ef:agent/unit_normalization | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v5 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v6 |
| ef:activity/change/20260822T0600486828500000/221576 | prefLabel | ef:agent/normalize_name_case | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v6 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v7 |
| ef:activity/change/20260822T0600486828500000/229195 | properties | ef:agent/enrich_references | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v7 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v8 |
| ef:activity/change/20260822T0600486828500000/229196 | skos_definition | ef:agent/enrich_references | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v8 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v9 |
| ef:activity/change/20260822T0600486828500000/229197 | references | ef:agent/enrich_references | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v9 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v10 |
| ef:activity/change/20260822T0600486828500000/248897 | properties | ef:agent/rdkit_pre_consensus | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v10 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v11 |
| ef:activity/change/20260822T0600486828500000/268779 | altLabel | ef:agent/consensus_match | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v11 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v12 |
| ef:activity/change/20260822T0600486828500000/268780 | cas_match_labels | ef:agent/consensus_match | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v12 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v13 |
| ef:activity/change/20260822T0600486828500000/274017 | properties | ef:agent/opsin_iupac | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v13 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v14 |
| ef:activity/change/20260822T0600486828500000/280422 | properties | ef:agent/rdkit_post_consensus | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v14 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v15 |
| ef:activity/change/20260822T0600486828500000/371094 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v15 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v16 |
| ef:activity/change/20260822T0600486828500000/388307 | properties | ef:agent/normalise_property_values | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v16 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v17 |
| ef:activity/change/20260822T0600486828500000/394984 | types | ef:agent/link_flows_to_their_substance | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v17 | ef:flow/daaa224e-7d37-4e31-968c-a2dce143c7c8/v18 |