N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine
Everything that changed this flow. Back to the flow
574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea
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=n-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'1003859-14-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb5dfce77d884906: {'1003859-14-0': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1003859-14-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[44604123]; selected_pubchem_cids=[44604123]; 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 |
|---|---|---|---|---|---|
| 16,522 | bootstrap_labels | prefLabel | — | [{"@value":"n-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 16,523 | bootstrap_labels | name | n-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine | — | Purged legacy name field to enforce prefLabel usage |
| 16,524 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 101,628 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 101,629 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 218,762 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,882 | normalize_name_case | prefLabel | [{"@value":"n-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,715 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,716 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,717 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.149.283","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['1003859-14-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[44604123]; selected_pubchem_cids=[44604123]; 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 |
| 252,794 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | rdkit_pre_consensus from 'C1=CC(=NC=C1CNCC(F)F)Cl'; added: molecular_mass, monoisotopic_mass |
| 269,418 | consensus_match | altLabel | [] | [{"@value":"3-Pyridinemethanamine, 6-chloro-<em>N</em>-(2,2-difluoroethyl)-","@language":"en","source":{"prov:wasGenera… | group_key=n-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine||dimension=Environmental > media=Ground > geography=Unknown; cas=1003859-14-0; added Common Chemistry CAS names as altLabel: 3-Pyridinemethanamine, 6-chloro-<em>N</em>-(2,2-difluoroethyl)-, 6-Chloro-<em>N</em>-(2,2-difluoroethyl)-3-pyridinemethanamine, <em>N</em>-[(6-Chloro-3-pyridyl)methyl]-2,2-difluoroethanamine, <em>N</em>-[(6-Chloropyridin-3-yl)methyl]-2,2-difluoroethan-1-amine, <em>N</em>-[(6-Chloropyridin-3-yl)methyl]-2,2-difluoroethylamine, [(6-Chloropyridin-3-yl)methyl](2,2-difluoroethyl)amine; object_uuid=fo-fb5dfce77d884906 |
| 269,419 | consensus_match | cas_match_labels | — | {"1003859-14-0":"exactMatch"} | group_key=n-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'1003859-14-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb5dfce77d884906: {'1003859-14-0': 'exactMatch'} |
| 277,995 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine' |
| 284,723 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | rdkit_post_consensus from 'FC(F)CNCc1ccc(Cl)nc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,885 | dedupe_altlabels | altLabel | [{"@value":"3-Pyridinemethanamine, 6-chloro-<em>N</em>-(2,2-difluoroethyl)-","@language":"en","source":{"prov:wasGenera… | [{"@value":"3-Pyridinemethanamine, 6-chloro-N-(2,2-difluoroethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"c… | Deduplicated altLabel values and removed entries matching prefLabel |
| 331,811 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/574005ec-9e1c-… | associations resolved on the elementary layer |
| 392,352 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9ClF2N2… | typed the way the ontology types it |
| 400,781 | 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/20260822T0600486828500000/16522 | prefLabel | ef:agent/bootstrap_labels | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v0 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v1 |
| ef:activity/change/20260822T0600486828500000/16523 | name | ef:agent/bootstrap_labels | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v1 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v2 |
| ef:activity/change/20260822T0600486828500000/16524 | synonyms | ef:agent/bootstrap_labels | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v2 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v3 |
| ef:activity/change/20260822T0600486828500000/101628 | context | ef:agent/default_context_mapping | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v3 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v4 |
| ef:activity/change/20260822T0600486828500000/101629 | context_iri | ef:agent/default_context_mapping | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v4 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v5 |
| ef:activity/change/20260822T0600486828500000/218762 | unit_iri | ef:agent/unit_normalization | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v5 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v6 |
| ef:activity/change/20260822T0600486828500000/224882 | prefLabel | ef:agent/normalize_name_case | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v6 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v7 |
| ef:activity/change/20260822T0600486828500000/242715 | properties | ef:agent/enrich_references | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v7 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v8 |
| ef:activity/change/20260822T0600486828500000/242716 | skos_definition | ef:agent/enrich_references | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v8 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v9 |
| ef:activity/change/20260822T0600486828500000/242717 | references | ef:agent/enrich_references | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v9 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v10 |
| ef:activity/change/20260822T0600486828500000/252794 | properties | ef:agent/rdkit_pre_consensus | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v10 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v11 |
| ef:activity/change/20260822T0600486828500000/269418 | altLabel | ef:agent/consensus_match | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v11 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v12 |
| ef:activity/change/20260822T0600486828500000/269419 | cas_match_labels | ef:agent/consensus_match | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v12 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v13 |
| ef:activity/change/20260822T0600486828500000/277995 | properties | ef:agent/opsin_iupac | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v13 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v14 |
| ef:activity/change/20260822T0600486828500000/284723 | properties | ef:agent/rdkit_post_consensus | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v14 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v15 |
| ef:activity/change/20260822T0600486828500000/292885 | altLabel | ef:agent/dedupe_altlabels | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v15 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v16 |
| ef:activity/change/20260822T0600486828500000/331811 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v16 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v17 |
| ef:activity/change/20260822T0600486828500000/392352 | properties | ef:agent/normalise_property_values | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v17 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v18 |
| ef:activity/change/20260822T0600486828500000/400781 | types | ef:agent/link_flows_to_their_substance | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v18 | ef:flow/574005ec-9e1c-4d0e-b8fc-7ce7b2acc3ea/v19 |