1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate
Everything that changed this flow. Back to the flow
f4cf695a-ce5e-4f07-982b-ec30aae7832e
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 | 1 | consensus_match | group_key=1-(allyloxy)-2-methyl-1-oxopropan-2-yl2-chloro-5-nitrobenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=174489-76-0; added Common Chemistry CAS names as altLabel: 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-nitrobenzoate, Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester; object_uuid=fo-358037d1ae706d9b |
| cas_match_labels | 1 | consensus_match | group_key=1-(allyloxy)-2-methyl-1-oxopropan-2-yl2-chloro-5-nitrobenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'174489-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-358037d1ae706d9b: {'174489-76-0': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['174489-76-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[11782392]; selected_pubchem_cids=[11782392]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,238 | bootstrap_labels | prefLabel | — | [{"@value":"1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate","@language":"en","source":{"prov:wasGenera… | Bootstrapped prefLabel from legacy name field |
| 5,239 | bootstrap_labels | name | 1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate | — | Purged legacy name field to enforce prefLabel usage |
| 5,240 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 196,944 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 196,945 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,089 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,217 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,218 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,219 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.225.662","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['174489-76-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[11782392]; selected_pubchem_cids=[11782392]; 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 |
| 249,763 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | rdkit_pre_consensus from 'CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl'; added: molecular_mass, monoisotopic_mass |
| 258,883 | consensus_match | altLabel | [] | [{"@value":"1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-nitrobenzoate","@language":"en","source":{"prov:was… | group_key=1-(allyloxy)-2-methyl-1-oxopropan-2-yl2-chloro-5-nitrobenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=174489-76-0; added Common Chemistry CAS names as altLabel: 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-nitrobenzoate, Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester; object_uuid=fo-358037d1ae706d9b |
| 258,884 | consensus_match | cas_match_labels | — | {"174489-76-0":"exactMatch"} | group_key=1-(allyloxy)-2-methyl-1-oxopropan-2-yl2-chloro-5-nitrobenzoate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'174489-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-358037d1ae706d9b: {'174489-76-0': 'exactMatch'} |
| 274,901 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-nitrobenzoate' |
| 281,372 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | rdkit_post_consensus from 'C=CCOC(=O)C(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 379,499 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f4cf695a-ce5e-… | associations resolved on the elementary layer |
| 389,199 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H14ClNO… | typed the way the ontology types it |
| 396,249 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1812399309960000/5238 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v0 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v1 |
| ef:activity/change/20260820T1812399309960000/5239 | name | ef:agent/bootstrap_labels | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v1 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v2 |
| ef:activity/change/20260820T1812399309960000/5240 | synonyms | ef:agent/bootstrap_labels | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v2 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v3 |
| ef:activity/change/20260820T1812399309960000/196944 | context | ef:agent/default_context_mapping | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v3 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v4 |
| ef:activity/change/20260820T1812399309960000/196945 | context_iri | ef:agent/default_context_mapping | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v4 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v5 |
| ef:activity/change/20260820T1812399309960000/215089 | unit_iri | ef:agent/unit_normalization | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v5 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v6 |
| ef:activity/change/20260820T1812399309960000/232217 | properties | ef:agent/enrich_references | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v6 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v7 |
| ef:activity/change/20260820T1812399309960000/232218 | skos_definition | ef:agent/enrich_references | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v7 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v8 |
| ef:activity/change/20260820T1812399309960000/232219 | references | ef:agent/enrich_references | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v8 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v9 |
| ef:activity/change/20260820T1812399309960000/249763 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v9 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v10 |
| ef:activity/change/20260820T1812399309960000/258883 | altLabel | ef:agent/consensus_match | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v10 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v11 |
| ef:activity/change/20260820T1812399309960000/258884 | cas_match_labels | ef:agent/consensus_match | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v11 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v12 |
| ef:activity/change/20260820T1812399309960000/274901 | properties | ef:agent/opsin_iupac | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v12 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v13 |
| ef:activity/change/20260820T1812399309960000/281372 | properties | ef:agent/rdkit_post_consensus | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v13 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v14 |
| ef:activity/change/20260820T1812399309960000/379499 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v14 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v15 |
| ef:activity/change/20260820T1812399309960000/389199 | properties | ef:agent/normalise_property_values | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v15 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v16 |
| ef:activity/change/20260820T1812399309960000/396249 | types | ef:agent/link_flows_to_their_substance | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v16 | ef:flow/f4cf695a-ce5e-4f07-982b-ec30aae7832e/v17 |