3-(chloromethyl)pyridine Hydrochloride
Everything that changed this flow. Back to the flow
66f38595-3f48-4a93-b2ca-d2c372e53262
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=3-(chloromethyl)pyridinehydrochloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=6959-48-4; added Common Chemistry CAS names as altLabel: (Pyridin-3-yl)methyl chloride hydrochloride, 3-(Chloromethyl)pyridine monohydrochloride, 3-(Chloromethyl)pyridinium chloride, 3-Picolyl chloride hydrochloride, 3-Pyridylmethyl chloride hydrochloride, Pyridine, 3-(chloromethyl)-, hydrochloride, Pyridine, 3-(chloromethyl)-, hydrochloride (1:1); object_uuid=fo-65e6f6163edfc4b8 |
| cas_match_labels | 1 | consensus_match | group_key=3-(chloromethyl)pyridinehydrochloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6959-48-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-65e6f6163edfc4b8: {'6959-48-4': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6959-48-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[18358, 23394, 43822571, 53488456, 67269795]; selected_pubchem_cids=[23394, 67269795]; 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 |
|---|---|---|---|---|---|
| 6,933 | bootstrap_labels | prefLabel | — | [{"@value":"3-(chloromethyl)pyridine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 6,934 | bootstrap_labels | name | 3-(chloromethyl)pyridine hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 23,459 | bootstrap_labels | synonyms | ["3-(chloromethyl)pyridiniumchloride","3-(chloromethyl)pyridin-1-iumchloride","3-(chloromethyl)pyridinehydrochloride","… | [] | Removed legacy synonyms field in favor of structured labels |
| 111,066 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 111,067 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 215,653 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,687 | normalize_name_case | prefLabel | [{"@value":"3-(chloromethyl)pyridine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"3-(chloromethyl)pyridine Hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,832 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 233,833 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,834 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.027.410","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['6959-48-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[18358, 23394, 43822571, 53488456, 67269795]; selected_pubchem_cids=[23394, 67269795]; 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 |
| 250,237 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | rdkit_pre_consensus from 'C1=CC(=CN=C1)CCl.Cl'; added: molecular_mass, monoisotopic_mass |
| 261,779 | consensus_match | altLabel | [] | [{"@value":"(Pyridin-3-yl)methyl chloride hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=3-(chloromethyl)pyridinehydrochloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=6959-48-4; added Common Chemistry CAS names as altLabel: (Pyridin-3-yl)methyl chloride hydrochloride, 3-(Chloromethyl)pyridine monohydrochloride, 3-(Chloromethyl)pyridinium chloride, 3-Picolyl chloride hydrochloride, 3-Pyridylmethyl chloride hydrochloride, Pyridine, 3-(chloromethyl)-, hydrochloride, Pyridine, 3-(chloromethyl)-, hydrochloride (1:1); object_uuid=fo-65e6f6163edfc4b8 |
| 261,780 | consensus_match | cas_match_labels | — | {"6959-48-4":"exactMatch"} | group_key=3-(chloromethyl)pyridinehydrochloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6959-48-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-65e6f6163edfc4b8: {'6959-48-4': 'exactMatch'} |
| 275,380 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(chloromethyl)pyridine Hydrochloride' |
| 281,890 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | rdkit_post_consensus from 'Cl.ClCc1cccnc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 336,532 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/66f38595-3f48-… | associations resolved on the elementary layer |
| 389,683 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7Cl2N"]… | typed the way the ontology types it |
| 396,938 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1554374006150000/6933 | prefLabel | ef:agent/bootstrap_labels | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v0 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v1 |
| ef:activity/change/20260821T1554374006150000/6934 | name | ef:agent/bootstrap_labels | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v1 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v2 |
| ef:activity/change/20260821T1554374006150000/23459 | synonyms | ef:agent/bootstrap_labels | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v2 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v3 |
| ef:activity/change/20260821T1554374006150000/111066 | context | ef:agent/default_context_mapping | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v3 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v4 |
| ef:activity/change/20260821T1554374006150000/111067 | context_iri | ef:agent/default_context_mapping | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v4 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v5 |
| ef:activity/change/20260821T1554374006150000/215653 | unit_iri | ef:agent/unit_normalization | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v5 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v6 |
| ef:activity/change/20260821T1554374006150000/222687 | prefLabel | ef:agent/normalize_name_case | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v6 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v7 |
| ef:activity/change/20260821T1554374006150000/233832 | properties | ef:agent/enrich_references | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v7 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v8 |
| ef:activity/change/20260821T1554374006150000/233833 | skos_definition | ef:agent/enrich_references | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v8 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v9 |
| ef:activity/change/20260821T1554374006150000/233834 | references | ef:agent/enrich_references | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v9 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v10 |
| ef:activity/change/20260821T1554374006150000/250237 | properties | ef:agent/rdkit_pre_consensus | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v10 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v11 |
| ef:activity/change/20260821T1554374006150000/261779 | altLabel | ef:agent/consensus_match | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v11 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v12 |
| ef:activity/change/20260821T1554374006150000/261780 | cas_match_labels | ef:agent/consensus_match | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v12 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v13 |
| ef:activity/change/20260821T1554374006150000/275380 | properties | ef:agent/opsin_iupac | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v13 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v14 |
| ef:activity/change/20260821T1554374006150000/281890 | properties | ef:agent/rdkit_post_consensus | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v14 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v15 |
| ef:activity/change/20260821T1554374006150000/336532 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v15 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v16 |
| ef:activity/change/20260821T1554374006150000/389683 | properties | ef:agent/normalise_property_values | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v16 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v17 |
| ef:activity/change/20260821T1554374006150000/396938 | types | ef:agent/link_flows_to_their_substance | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v17 | ef:flow/66f38595-3f48-4a93-b2ca-d2c372e53262/v18 |