2-chloro-5-isocyanato-benzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester
Everything that changed this flow. Back to the flow
1bba39f9-ded9-4805-b25c-f261b2506d5a
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=2-chloro-5-isocyanato-benzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Surface water; cas=204918-22-9; added Common Chemistry CAS names as altLabel: 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-isocyanatobenzoate, 5-Isocyanato-2-chlorobenzoic acid 1-allyloxycarbonyl-1-methylethyl ester, Benzoic acid, 2-chloro-5-isocyanato-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, Benzoic acid, 2-chloro-5-isocyanato-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester; object_uuid=fo-a6288aa21b34910e |
| cas_match_labels | 1 | consensus_match | group_key=2-chloro-5-isocyanato-benzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'204918-22-9': []}; assigned CAS labels from group consensus; object_uuid=fo-a6288aa21b34910e: {'204918-22-9': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['204918-22-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[10936216]; selected_pubchem_cids=[10936216]; 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 |
|---|---|---|---|---|---|
| 10,985 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-5-isocyanato-benzoic acid 1-allyloxycarbonyl-1-methyl-ethyl ester","@language":"en","source":{"pro… | Bootstrapped prefLabel from legacy name field |
| 10,986 | bootstrap_labels | name | 2-chloro-5-isocyanato-benzoic acid 1-allyloxycarbonyl-1-methyl-ethyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 10,987 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 54,692 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 54,693 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 216,982 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,656 | normalize_name_case | prefLabel | [{"@value":"2-chloro-5-isocyanato-benzoic acid 1-allyloxycarbonyl-1-methyl-ethyl ester","@language":"en","source":{"pro… | [{"@value":"2-chloro-5-isocyanato-benzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester","@language":"en","source":{"pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,635 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,636 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,637 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.224.841","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['204918-22-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[10936216]; selected_pubchem_cids=[10936216]; 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 |
| 251,318 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | rdkit_pre_consensus from 'CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N=C=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 260,656 | consensus_match | altLabel | [] | [{"@value":"1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-isocyanatobenzoate","@language":"en","source":{"pro… | group_key=2-chloro-5-isocyanato-benzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Surface water; cas=204918-22-9; added Common Chemistry CAS names as altLabel: 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-isocyanatobenzoate, 5-Isocyanato-2-chlorobenzoic acid 1-allyloxycarbonyl-1-methylethyl ester, Benzoic acid, 2-chloro-5-isocyanato-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, Benzoic acid, 2-chloro-5-isocyanato-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester; object_uuid=fo-a6288aa21b34910e |
| 260,657 | consensus_match | cas_match_labels | — | {"204918-22-9":"exactMatch"} | group_key=2-chloro-5-isocyanato-benzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'204918-22-9': []}; assigned CAS labels from group consensus; object_uuid=fo-a6288aa21b34910e: {'204918-22-9': 'exactMatch'} |
| 276,501 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-5-isocyanato-benzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester' |
| 283,110 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | rdkit_post_consensus from 'C=CCOC(=O)C(C)(C)OC(=O)c1cc(N=C=O)ccc1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 308,371 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1bba39f9-ded9-… | associations resolved on the elementary layer |
| 390,855 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H14ClNO… | typed the way the ontology types it |
| 398,648 | 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/20260821T1122181958110000/10985 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v0 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v1 |
| ef:activity/change/20260821T1122181958110000/10986 | name | ef:agent/bootstrap_labels | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v1 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v2 |
| ef:activity/change/20260821T1122181958110000/10987 | synonyms | ef:agent/bootstrap_labels | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v2 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v3 |
| ef:activity/change/20260821T1122181958110000/54692 | context | ef:agent/default_context_mapping | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v3 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v4 |
| ef:activity/change/20260821T1122181958110000/54693 | context_iri | ef:agent/default_context_mapping | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v4 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v5 |
| ef:activity/change/20260821T1122181958110000/216982 | unit_iri | ef:agent/unit_normalization | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v5 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v6 |
| ef:activity/change/20260821T1122181958110000/223656 | prefLabel | ef:agent/normalize_name_case | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v6 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v7 |
| ef:activity/change/20260821T1122181958110000/237635 | properties | ef:agent/enrich_references | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v7 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v8 |
| ef:activity/change/20260821T1122181958110000/237636 | skos_definition | ef:agent/enrich_references | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v8 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v9 |
| ef:activity/change/20260821T1122181958110000/237637 | references | ef:agent/enrich_references | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v9 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v10 |
| ef:activity/change/20260821T1122181958110000/251318 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v10 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v11 |
| ef:activity/change/20260821T1122181958110000/260656 | altLabel | ef:agent/consensus_match | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v11 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v12 |
| ef:activity/change/20260821T1122181958110000/260657 | cas_match_labels | ef:agent/consensus_match | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v12 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v13 |
| ef:activity/change/20260821T1122181958110000/276501 | properties | ef:agent/opsin_iupac | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v13 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v14 |
| ef:activity/change/20260821T1122181958110000/283110 | properties | ef:agent/rdkit_post_consensus | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v14 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v15 |
| ef:activity/change/20260821T1122181958110000/308371 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v15 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v16 |
| ef:activity/change/20260821T1122181958110000/390855 | properties | ef:agent/normalise_property_values | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v16 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v17 |
| ef:activity/change/20260821T1122181958110000/398648 | types | ef:agent/link_flows_to_their_substance | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v17 | ef:flow/1bba39f9-ded9-4805-b25c-f261b2506d5a/v18 |