N-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine
Everything that changed this flow. Back to the flow
7212cb21-4be0-4494-bb79-1a3b7948db10
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-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'153719-38-1': []}; assigned CAS labels from group consensus; object_uuid=fo-f04d2b64e88b52a6: {'153719-38-1': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['153719-38-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[10888198, 53447167, 101586175, 135421448, 135442219, 136277959]; selected_pubchem_cids=[10888198, 135421448, 135442219, 136277959]; 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 |
|---|---|---|---|---|---|
| 10,073 | bootstrap_labels | prefLabel | — | [{"@value":"n-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 10,074 | bootstrap_labels | name | n-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine | — | Purged legacy name field to enforce prefLabel usage |
| 10,075 | bootstrap_labels | synonyms | ["organic","n-nitro-5-methyl-tetrahydro-4h-1,3,5-oxodiazin-4-imin","n-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-… | [] | Removed legacy synonyms field in favor of structured labels |
| 117,678 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 117,679 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 216,690 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,456 | normalize_name_case | prefLabel | [{"@value":"n-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine","@language":"en","source":{"prov:wasGenerate… | [{"@value":"N-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine","@language":"en","source":{"prov:wasGenerate… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,804 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 236,805 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,806 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.080.251I","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['153719-38-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[10888198, 53447167, 101586175, 135421448, 135442219, 136277959]; selected_pubchem_cids=[10888198, 135421448, 135442219, 136277959]; 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 |
| 251,090 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | rdkit_pre_consensus from 'CN1COCN=C1N[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 269,619 | consensus_match | altLabel | [] | [{"@value":"2<em>H</em>-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-<em>N</em>-nitro-","@language":"en","source":{"pr… | group_key=n-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine||dimension=Environmental > media=Ground > geography=Unknown; cas=153719-38-1; added Common Chemistry CAS names as altLabel: 2<em>H</em>-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-<em>N</em>-nitro-, 3,6-Dihydro-3-methyl-<em>N</em>-nitro-2<em>H</em>-1,3,5-oxadiazin-4-amine, 3-Methyl-4-nitroimino-tetrahydro-1,3,5-oxadiazine, 3-Methyl-<em>N</em>-nitro-3,6-dihydro-2<em>H</em>-1,3,5-oxadiazin-4-amine; object_uuid=fo-f04d2b64e88b52a6 |
| 269,620 | consensus_match | cas_match_labels | — | {"153719-38-1":"exactMatch"} | group_key=n-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'153719-38-1': []}; assigned CAS labels from group consensus; object_uuid=fo-f04d2b64e88b52a6: {'153719-38-1': 'exactMatch'} |
| 276,288 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2H-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-N-nitro-' |
| 282,877 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | rdkit_post_consensus from 'CN1COCN=C1N[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,514 | dedupe_altlabels | altLabel | [{"@value":"2<em>H</em>-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-<em>N</em>-nitro-","@language":"en","source":{"pr… | [{"@value":"2H-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-N-nitro-","@language":"en","source":{"prov:wasGeneratedBy"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 339,857 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7212cb21-4be0-… | associations resolved on the elementary layer |
| 390,636 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N4O3"]… | typed the way the ontology types it |
| 398,320 | 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/20260820T0738569779880000/10073 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v0 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v1 |
| ef:activity/change/20260820T0738569779880000/10074 | name | ef:agent/bootstrap_labels | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v1 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v2 |
| ef:activity/change/20260820T0738569779880000/10075 | synonyms | ef:agent/bootstrap_labels | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v2 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v3 |
| ef:activity/change/20260820T0738569779880000/117678 | context | ef:agent/default_context_mapping | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v3 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v4 |
| ef:activity/change/20260820T0738569779880000/117679 | context_iri | ef:agent/default_context_mapping | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v4 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v5 |
| ef:activity/change/20260820T0738569779880000/216690 | unit_iri | ef:agent/unit_normalization | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v5 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v6 |
| ef:activity/change/20260820T0738569779880000/223456 | prefLabel | ef:agent/normalize_name_case | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v6 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v7 |
| ef:activity/change/20260820T0738569779880000/236804 | properties | ef:agent/enrich_references | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v7 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v8 |
| ef:activity/change/20260820T0738569779880000/236805 | skos_definition | ef:agent/enrich_references | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v8 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v9 |
| ef:activity/change/20260820T0738569779880000/236806 | references | ef:agent/enrich_references | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v9 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v10 |
| ef:activity/change/20260820T0738569779880000/251090 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v10 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v11 |
| ef:activity/change/20260820T0738569779880000/269619 | altLabel | ef:agent/consensus_match | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v11 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v12 |
| ef:activity/change/20260820T0738569779880000/269620 | cas_match_labels | ef:agent/consensus_match | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v12 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v13 |
| ef:activity/change/20260820T0738569779880000/276288 | properties | ef:agent/opsin_iupac | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v13 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v14 |
| ef:activity/change/20260820T0738569779880000/282877 | properties | ef:agent/rdkit_post_consensus | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v14 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v15 |
| ef:activity/change/20260820T0738569779880000/292514 | altLabel | ef:agent/dedupe_altlabels | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v15 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v16 |
| ef:activity/change/20260820T0738569779880000/339857 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v16 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v17 |
| ef:activity/change/20260820T0738569779880000/390636 | properties | ef:agent/normalise_property_values | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v17 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v18 |
| ef:activity/change/20260820T0738569779880000/398320 | types | ef:agent/link_flows_to_their_substance | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v18 | ef:flow/7212cb21-4be0-4494-bb79-1a3b7948db10/v19 |