2-[bis(cyanomethyl)amino]acetonitrile
Everything that changed this flow. Back to the flow
214f21aa-a82d-46a2-ab5f-d52fe89c4521
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 93814' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-[bis(cyanomethyl)amino]acetonitrile||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7327-60-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b036ea84780926b6: {'7327-60-8': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7327-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[9999, 81762, 194198]; selected_pubchem_cids=[81762]; 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 |
|---|---|---|---|---|---|
| 17,231 | bootstrap_labels | prefLabel | — | [{"@value":"2-[bis(cyanomethyl)amino]acetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 17,232 | bootstrap_labels | name | 2-[bis(cyanomethyl)amino]acetonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 17,233 | bootstrap_labels | synonyms | ["organic","nitrilotriacetonitrile","ntan"] | [] | Removed legacy synonyms field in favor of structured labels |
| 58,932 | 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 |
| 58,933 | 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 |
| 218,986 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,344 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,345 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,346 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.814I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['7327-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[9999, 81762, 194198]; selected_pubchem_cids=[81762]; 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 |
| 252,971 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | rdkit_pre_consensus from 'C(C#N)N(CC#N)CC#N'; added: molecular_mass, monoisotopic_mass |
| 260,466 | consensus_match | altLabel | [] | [{"@value":"2,2′,2′′-Nitrilotriacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=2-[bis(cyanomethyl)amino]acetonitrile||dimension=Environmental > media=Water > water_body=Surface water; cas=7327-60-8; added Common Chemistry CAS names as altLabel: 2,2′,2′′-Nitrilotriacetonitrile, 2,2′,2′′-Nitrilotris[acetonitrile], Acetonitrile, 2,2′,2′′-nitrilotris-, Acetonitrile, nitrilotri-, NSC 93814, Nitrilotriacetonitrile, Nitrilotrisacetonitrile, α-Aminotriacetonitrile; object_uuid=fo-b036ea84780926b6 |
| 260,467 | consensus_match | cas_match_labels | — | {"7327-60-8":"exactMatch"} | group_key=2-[bis(cyanomethyl)amino]acetonitrile||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7327-60-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b036ea84780926b6: {'7327-60-8': 'exactMatch'} |
| 278,175 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-[bis(cyanomethyl)amino]acetonitrile' |
| 284,916 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | rdkit_post_consensus from 'N#CCN(CC#N)CC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,748 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2′,2′′-Nitrilotriacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"2,2′,2′′-Nitrilotriacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Removed 1 catalogue altLabel value(s): 'NSC 93814' (registry code) |
| 310,488 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/214f21aa-a82d-… | associations resolved on the elementary layer |
| 392,528 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N4"],"… | typed the way the ontology types it |
| 401,046 | 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/20260821T1302361922970000/17231 | prefLabel | ef:agent/bootstrap_labels | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v0 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v1 |
| ef:activity/change/20260821T1302361922970000/17232 | name | ef:agent/bootstrap_labels | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v1 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v2 |
| ef:activity/change/20260821T1302361922970000/17233 | synonyms | ef:agent/bootstrap_labels | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v2 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v3 |
| ef:activity/change/20260821T1302361922970000/58932 | context | ef:agent/default_context_mapping | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v3 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v4 |
| ef:activity/change/20260821T1302361922970000/58933 | context_iri | ef:agent/default_context_mapping | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v4 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v5 |
| ef:activity/change/20260821T1302361922970000/218986 | unit_iri | ef:agent/unit_normalization | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v5 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v6 |
| ef:activity/change/20260821T1302361922970000/243344 | properties | ef:agent/enrich_references | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v6 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v7 |
| ef:activity/change/20260821T1302361922970000/243345 | skos_definition | ef:agent/enrich_references | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v7 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v8 |
| ef:activity/change/20260821T1302361922970000/243346 | references | ef:agent/enrich_references | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v8 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v9 |
| ef:activity/change/20260821T1302361922970000/252971 | properties | ef:agent/rdkit_pre_consensus | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v9 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v10 |
| ef:activity/change/20260821T1302361922970000/260466 | altLabel | ef:agent/consensus_match | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v10 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v11 |
| ef:activity/change/20260821T1302361922970000/260467 | cas_match_labels | ef:agent/consensus_match | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v11 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v12 |
| ef:activity/change/20260821T1302361922970000/278175 | properties | ef:agent/opsin_iupac | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v12 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v13 |
| ef:activity/change/20260821T1302361922970000/284916 | properties | ef:agent/rdkit_post_consensus | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v13 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v14 |
| ef:activity/change/20260821T1302361922970000/290748 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v14 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v15 |
| ef:activity/change/20260821T1302361922970000/310488 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v15 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v16 |
| ef:activity/change/20260821T1302361922970000/392528 | properties | ef:agent/normalise_property_values | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v16 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v17 |
| ef:activity/change/20260821T1302361922970000/401046 | types | ef:agent/link_flows_to_their_substance | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v17 | ef:flow/214f21aa-a82d-46a2-ab5f-d52fe89c4521/v18 |