1,3-bis(isocyanatomethyl)benzene
Everything that changed this flow. Back to the flow
5be0c69e-6e84-4ed3-9655-f36ecc4608b1
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 |
| cas_match_labels | 1 | consensus_match | group_key=1,3-bis(isocyanatomethyl)benzene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3634-83-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d7bfa6660a8bf413: {'3634-83-1': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['3634-83-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[19262, 17888362, 54558218]; selected_pubchem_cids=[19262]; 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 |
|---|---|---|---|---|---|
| 19,033 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-bis(isocyanatomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 19,034 | bootstrap_labels | name | 1,3-bis(isocyanatomethyl)benzene | — | Purged legacy name field to enforce prefLabel usage |
| 19,035 | bootstrap_labels | synonyms | ["organic","1,3-bis(isocyanatomethyl)benzene"] | [] | Removed legacy synonyms field in favor of structured labels |
| 104,332 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 104,333 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,545 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,904 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,905 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,906 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.460D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3634-83-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[19262, 17888362, 54558218]; selected_pubchem_cids=[19262]; 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 |
| 253,423 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)CN=C=O)CN=C=O'; added: molecular_mass, monoisotopic_mass |
| 258,518 | consensus_match | altLabel | [] | [{"@value":"(Benzene-1,3-diyl)dimethyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=1,3-bis(isocyanatomethyl)benzene||dimension=Environmental > media=Water > water_body=Surface water; cas=3634-83-1; added Common Chemistry CAS names as altLabel: (Benzene-1,3-diyl)dimethyl diisocyanate, 1,3-Di(isocyanatomethyl)benzene, 1,3-Xylene diisocyanate, 1,3-Xylylene diisocyanate, <em>m</em>-Phenylenedimethylene isocyanate, <em>m</em>-Xylylene diisocyanate, Benzene, 1,3-bis(isocyanatomethyl)-, Isocyanic acid, <em>m</em>-phenylenedimethylene ester, m-XDI, ω,ω′-Diisocyanato-1,3-dimethylbenzene; object_uuid=fo-d7bfa6660a8bf413 |
| 258,519 | consensus_match | cas_match_labels | — | {"3634-83-1":"exactMatch"} | group_key=1,3-bis(isocyanatomethyl)benzene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'3634-83-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d7bfa6660a8bf413: {'3634-83-1': 'exactMatch'} |
| 278,632 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-bis(isocyanatomethyl)benzene' |
| 285,408 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | rdkit_post_consensus from 'O=C=NCc1cccc(CN=C=O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,006 | dedupe_altlabels | altLabel | [{"@value":"(Benzene-1,3-diyl)dimethyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"(Benzene-1,3-diyl)dimethyl diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 333,156 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5be0c69e-6e84-… | associations resolved on the elementary layer |
| 392,992 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H8N2O2"… | typed the way the ontology types it |
| 401,735 | 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/20260820T1812399309960000/19033 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v0 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v1 |
| ef:activity/change/20260820T1812399309960000/19034 | name | ef:agent/bootstrap_labels | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v1 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v2 |
| ef:activity/change/20260820T1812399309960000/19035 | synonyms | ef:agent/bootstrap_labels | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v2 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v3 |
| ef:activity/change/20260820T1812399309960000/104332 | context | ef:agent/default_context_mapping | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v3 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v4 |
| ef:activity/change/20260820T1812399309960000/104333 | context_iri | ef:agent/default_context_mapping | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v4 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v5 |
| ef:activity/change/20260820T1812399309960000/219545 | unit_iri | ef:agent/unit_normalization | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v5 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v6 |
| ef:activity/change/20260820T1812399309960000/244904 | properties | ef:agent/enrich_references | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v6 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v7 |
| ef:activity/change/20260820T1812399309960000/244905 | skos_definition | ef:agent/enrich_references | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v7 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v8 |
| ef:activity/change/20260820T1812399309960000/244906 | references | ef:agent/enrich_references | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v8 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v9 |
| ef:activity/change/20260820T1812399309960000/253423 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v9 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v10 |
| ef:activity/change/20260820T1812399309960000/258518 | altLabel | ef:agent/consensus_match | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v10 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v11 |
| ef:activity/change/20260820T1812399309960000/258519 | cas_match_labels | ef:agent/consensus_match | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v11 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v12 |
| ef:activity/change/20260820T1812399309960000/278632 | properties | ef:agent/opsin_iupac | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v12 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v13 |
| ef:activity/change/20260820T1812399309960000/285408 | properties | ef:agent/rdkit_post_consensus | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v13 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v14 |
| ef:activity/change/20260820T1812399309960000/293006 | altLabel | ef:agent/dedupe_altlabels | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v14 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v15 |
| ef:activity/change/20260820T1812399309960000/333156 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v15 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v16 |
| ef:activity/change/20260820T1812399309960000/392992 | properties | ef:agent/normalise_property_values | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v16 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v17 |
| ef:activity/change/20260820T1812399309960000/401735 | types | ef:agent/link_flows_to_their_substance | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v17 | ef:flow/5be0c69e-6e84-4ed3-9655-f36ecc4608b1/v18 |