4-chloro-2-nitrotoluene
Everything that changed this flow. Back to the flow
9b128e18-060a-4ec9-b258-7af80c825238
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 5386' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-chloro-2-nitrotoluene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-59-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed62daabba6b0f10: {'89-59-8': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['89-59-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[6975, 74218, 247430]; selected_pubchem_cids=[6975]; 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 |
|---|---|---|---|---|---|
| 737 | bootstrap_labels | prefLabel | — | [{"@value":"4-chloro-2-nitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 738 | bootstrap_labels | name | 4-chloro-2-nitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 24,473 | bootstrap_labels | synonyms | ["4-chloro-2-nitrotoluene","4-chloro-1-methyl-2-nitrobenzene","2-Nitro-4-chlorotoluene","4,2-Chloronitrotoluene","4-Chl… | [] | Removed legacy synonyms field in favor of structured labels |
| 142,074 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 142,075 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 213,586 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,880 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,881 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,882 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.690F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['89-59-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[6975, 74218, 247430]; selected_pubchem_cids=[6975]; 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 |
| 248,518 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,652 | consensus_match | altLabel | [] | [{"@value":"1-Chloro-4-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=4-chloro-2-nitrotoluene||dimension=Environmental > media=Ground > geography=Unknown; cas=89-59-8; added Common Chemistry CAS names as altLabel: 1-Chloro-4-methyl-3-nitrobenzene, 2-Methyl-5-chloronitrobenzene, 2-Nitro-4-chlorotoluene, 4-Chloro-1-methyl-2-nitrobenzene, 4-Chloro-2-nitro-1-methylbenzene, <em>p</em>-Chloro-<em>o</em>-nitrotoluene, Benzene, 4-chloro-1-methyl-2-nitro-, NSC 5386, Toluene, 4-chloro-2-nitro-; object_uuid=fo-ed62daabba6b0f10 |
| 262,653 | consensus_match | cas_match_labels | — | {"89-59-8":"exactMatch"} | group_key=4-chloro-2-nitrotoluene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-59-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed62daabba6b0f10: {'89-59-8': 'exactMatch'} |
| 273,659 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-chloro-2-nitrotoluene' |
| 280,024 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | rdkit_post_consensus from 'Cc1ccc(Cl)cc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,418 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Chloro-4-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"1-Chloro-4-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 5386' (registry code) |
| 352,059 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9b128e18-060a-… | associations resolved on the elementary layer |
| 387,936 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | typed the way the ontology types it |
| 394,478 | 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/20260820T0738569779880000/737 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v0 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v1 |
| ef:activity/change/20260820T0738569779880000/738 | name | ef:agent/bootstrap_labels | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v1 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v2 |
| ef:activity/change/20260820T0738569779880000/24473 | synonyms | ef:agent/bootstrap_labels | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v2 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v3 |
| ef:activity/change/20260820T0738569779880000/142074 | context | ef:agent/default_context_mapping | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v3 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v4 |
| ef:activity/change/20260820T0738569779880000/142075 | context_iri | ef:agent/default_context_mapping | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v4 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v5 |
| ef:activity/change/20260820T0738569779880000/213586 | unit_iri | ef:agent/unit_normalization | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v5 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v6 |
| ef:activity/change/20260820T0738569779880000/227880 | properties | ef:agent/enrich_references | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v6 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v7 |
| ef:activity/change/20260820T0738569779880000/227881 | skos_definition | ef:agent/enrich_references | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v7 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v8 |
| ef:activity/change/20260820T0738569779880000/227882 | references | ef:agent/enrich_references | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v8 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v9 |
| ef:activity/change/20260820T0738569779880000/248518 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v9 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v10 |
| ef:activity/change/20260820T0738569779880000/262652 | altLabel | ef:agent/consensus_match | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v10 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v11 |
| ef:activity/change/20260820T0738569779880000/262653 | cas_match_labels | ef:agent/consensus_match | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v11 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v12 |
| ef:activity/change/20260820T0738569779880000/273659 | properties | ef:agent/opsin_iupac | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v12 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v13 |
| ef:activity/change/20260820T0738569779880000/280024 | properties | ef:agent/rdkit_post_consensus | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v13 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v14 |
| ef:activity/change/20260820T0738569779880000/287418 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v14 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v15 |
| ef:activity/change/20260820T0738569779880000/352059 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v15 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v16 |
| ef:activity/change/20260820T0738569779880000/387936 | properties | ef:agent/normalise_property_values | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v16 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v17 |
| ef:activity/change/20260820T0738569779880000/394478 | types | ef:agent/link_flows_to_their_substance | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v17 | ef:flow/9b128e18-060a-4ec9-b258-7af80c825238/v18 |