2-chloro-6-nitrotoluene
Everything that changed this flow. Back to the flow
7f5f25e9-05ce-4b6f-98ae-af239433a433
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 49147' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'83-42-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8d665ba6b21217f9: {'83-42-1': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['83-42-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_142281']; candidate_pubchem_cids=[6740, 127603]; selected_pubchem_cids=[6740]; 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 |
|---|---|---|---|---|---|
| 15,767 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-6-nitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 15,768 | bootstrap_labels | name | 2-chloro-6-nitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 15,769 | bootstrap_labels | synonyms | ["1-Chloro-2-methyl-3-nitrobenzene","3-Chloro-2-methylnitrobenzene","6-Chloro-2-nitrotoluene","AC-11283","AC1L1N77","AC… | [] | Removed legacy synonyms field in favor of structured labels |
| 125,534 | 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) |
| 125,535 | 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) |
| 218,522 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,032 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6ClNO2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,033 | enrich_references | skos_definition | — | [{"@value":"A nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a ch… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,034 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.885B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['83-42-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_142281']; candidate_pubchem_cids=[6740, 127603]; selected_pubchem_cids=[6740]; 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 |
| 252,600 | 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=CC=C1Cl)[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,469 | chebi_altlabels | altLabel | [] | [{"@value":"1-chloro-2-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,666 | consensus_match | altLabel | [{"@value":"1-chloro-2-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"1-chloro-2-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; cas=83-42-1; added Common Chemistry CAS names as altLabel: 2-Methyl-3-chloronitrobenzene, 2-Methyl-3-nitrochlorobenzene, 3-Chloro-2-methyl-1-nitrobenzene, Benzene, 1-chloro-2-methyl-3-nitro-, NSC 49147, Toluene, 2-chloro-6-nitro-; object_uuid=fo-8d665ba6b21217f9 |
| 260,667 | consensus_match | cas_match_labels | — | {"83-42-1":"exactMatch"} | group_key=2-chloro-6-nitrotoluene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'83-42-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8d665ba6b21217f9: {'83-42-1': 'exactMatch'} |
| 277,808 | 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 '2-chloro-6-nitrotoluene' |
| 284,509 | 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 'Cc1c(Cl)cccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,467 | strip_catalogue_altlabels | altLabel | [{"@value":"1-chloro-2-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"1-chloro-2-methyl-3-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 49147' (registry code) |
| 343,769 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7f5f25e9-05ce-… | associations resolved on the elementary layer |
| 392,160 | 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 |
| 400,493 | 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/20260821T1554374006150000/15767 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v0 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v1 |
| ef:activity/change/20260821T1554374006150000/15768 | name | ef:agent/bootstrap_labels | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v1 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v2 |
| ef:activity/change/20260821T1554374006150000/15769 | synonyms | ef:agent/bootstrap_labels | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v2 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v3 |
| ef:activity/change/20260821T1554374006150000/125534 | context | ef:agent/default_context_mapping | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v3 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v4 |
| ef:activity/change/20260821T1554374006150000/125535 | context_iri | ef:agent/default_context_mapping | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v4 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v5 |
| ef:activity/change/20260821T1554374006150000/218522 | unit_iri | ef:agent/unit_normalization | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v5 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v6 |
| ef:activity/change/20260821T1554374006150000/242032 | properties | ef:agent/enrich_references | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v6 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v7 |
| ef:activity/change/20260821T1554374006150000/242033 | skos_definition | ef:agent/enrich_references | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v7 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v8 |
| ef:activity/change/20260821T1554374006150000/242034 | references | ef:agent/enrich_references | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v8 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v9 |
| ef:activity/change/20260821T1554374006150000/252600 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v9 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v10 |
| ef:activity/change/20260821T1554374006150000/256469 | altLabel | ef:agent/chebi_altlabels | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v10 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v11 |
| ef:activity/change/20260821T1554374006150000/260666 | altLabel | ef:agent/consensus_match | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v11 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v12 |
| ef:activity/change/20260821T1554374006150000/260667 | cas_match_labels | ef:agent/consensus_match | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v12 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v13 |
| ef:activity/change/20260821T1554374006150000/277808 | properties | ef:agent/opsin_iupac | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v13 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v14 |
| ef:activity/change/20260821T1554374006150000/284509 | properties | ef:agent/rdkit_post_consensus | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v14 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v15 |
| ef:activity/change/20260821T1554374006150000/290467 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v15 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v16 |
| ef:activity/change/20260821T1554374006150000/343769 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v16 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v17 |
| ef:activity/change/20260821T1554374006150000/392160 | properties | ef:agent/normalise_property_values | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v17 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v18 |
| ef:activity/change/20260821T1554374006150000/400493 | types | ef:agent/link_flows_to_their_substance | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v18 | ef:flow/7f5f25e9-05ce-4b6f-98ae-af239433a433/v19 |