N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine
Everything that changed this flow. Back to the flow
6044552b-89b6-4e62-ad4a-a111db96ea84
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-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'101990-44-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ae393c0e71739d9e: {'101990-44-7': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['101990-44-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10997737]; selected_pubchem_cids=[10997737]; 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 |
|---|---|---|---|---|---|
| 982 | bootstrap_labels | prefLabel | — | [{"@value":"n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 983 | bootstrap_labels | name | n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine | — | Purged legacy name field to enforce prefLabel usage |
| 984 | bootstrap_labels | synonyms | ["organic","1,2-ethanediamine,n1-[(6-chloro-3-pyridinyl)methyl]-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 106,984 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 106,985 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 213,668 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,326 | normalize_name_case | prefLabel | [{"@value":"n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,120 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,121 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,122 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J900.587K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['101990-44-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10997737]; selected_pubchem_cids=[10997737]; 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 |
| 248,590 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | rdkit_pre_consensus from 'C1=CC(=NC=C1CNCCN)Cl'; added: molecular_mass, monoisotopic_mass |
| 269,436 | consensus_match | altLabel | [] | [{"@value":"(2-Aminoethyl)[(6-chloropyridin-3-yl)methyl]amine","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine||dimension=Environmental > media=Water > water_body=Unknown; cas=101990-44-7; added Common Chemistry CAS names as altLabel: (2-Aminoethyl)[(6-chloropyridin-3-yl)methyl]amine, 1,2-Ethanediamine, <em>N</em>-[(6-chloro-3-pyridinyl)methyl]-, 1,2-Ethanediamine, <em>N</em><sup>1</sup>-[(6-chloro-3-pyridinyl)methyl]-, 2-(6-Chloro-3-pyridylmethylamino)ethylamine, 2-Chloro-5-((2-aminoethyl)aminomethyl)pyridine, 5-(2-Aminoethylaminomethyl)-2-chloropyridine, <em>N</em>-(2-Chloro-5-pyridylmethyl)ethylenediamine, <em>N</em>-(6-Chloro-3-pyridylmethyl)ethylenediamine, <em>N</em>-[(6-Chloropyridin-3-yl)methyl]ethane-1,2-diamine, <em>N</em><sup>1</sup>-[(6-Chloro-3-pyridinyl)methyl]-1,2-ethanediamine; object_uuid=fo-ae393c0e71739d9e |
| 269,437 | consensus_match | cas_match_labels | — | {"101990-44-7":"exactMatch"} | group_key=n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'101990-44-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ae393c0e71739d9e: {'101990-44-7': 'exactMatch'} |
| 273,728 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine' |
| 280,103 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | rdkit_post_consensus from 'NCCNCc1ccc(Cl)nc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,022 | dedupe_altlabels | altLabel | [{"@value":"(2-Aminoethyl)[(6-chloropyridin-3-yl)methyl]amine","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"(2-Aminoethyl)[(6-chloropyridin-3-yl)methyl]amine","@language":"en","source":{"prov:wasGeneratedBy":"consen… | Deduplicated altLabel values and removed entries matching prefLabel |
| 334,510 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6044552b-89b6-… | associations resolved on the elementary layer |
| 388,009 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12ClN3"… | typed the way the ontology types it |
| 394,578 | 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/20260820T1416470405690000/982 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v0 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v1 |
| ef:activity/change/20260820T1416470405690000/983 | name | ef:agent/bootstrap_labels | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v1 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v2 |
| ef:activity/change/20260820T1416470405690000/984 | synonyms | ef:agent/bootstrap_labels | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v2 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v3 |
| ef:activity/change/20260820T1416470405690000/106984 | context | ef:agent/default_context_mapping | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v3 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v4 |
| ef:activity/change/20260820T1416470405690000/106985 | context_iri | ef:agent/default_context_mapping | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v4 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v5 |
| ef:activity/change/20260820T1416470405690000/213668 | unit_iri | ef:agent/unit_normalization | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v5 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v6 |
| ef:activity/change/20260820T1416470405690000/221326 | prefLabel | ef:agent/normalize_name_case | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v6 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v7 |
| ef:activity/change/20260820T1416470405690000/228120 | properties | ef:agent/enrich_references | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v7 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v8 |
| ef:activity/change/20260820T1416470405690000/228121 | skos_definition | ef:agent/enrich_references | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v8 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v9 |
| ef:activity/change/20260820T1416470405690000/228122 | references | ef:agent/enrich_references | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v9 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v10 |
| ef:activity/change/20260820T1416470405690000/248590 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v10 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v11 |
| ef:activity/change/20260820T1416470405690000/269436 | altLabel | ef:agent/consensus_match | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v11 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v12 |
| ef:activity/change/20260820T1416470405690000/269437 | cas_match_labels | ef:agent/consensus_match | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v12 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v13 |
| ef:activity/change/20260820T1416470405690000/273728 | properties | ef:agent/opsin_iupac | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v13 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v14 |
| ef:activity/change/20260820T1416470405690000/280103 | properties | ef:agent/rdkit_post_consensus | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v14 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v15 |
| ef:activity/change/20260820T1416470405690000/292022 | altLabel | ef:agent/dedupe_altlabels | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v15 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v16 |
| ef:activity/change/20260820T1416470405690000/334510 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v16 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v17 |
| ef:activity/change/20260820T1416470405690000/388009 | properties | ef:agent/normalise_property_values | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v17 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v18 |
| ef:activity/change/20260820T1416470405690000/394578 | types | ef:agent/link_flows_to_their_substance | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v18 | ef:flow/6044552b-89b6-4e62-ad4a-a111db96ea84/v19 |