4-nitroaniline
Everything that changed this flow. Back to the flow
e52839f2-d923-41f7-bcd2-f663552e3917
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 2 catalogue altLabel value(s): 'C.I. 37035' (registry code), 'NSC 9797' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-nitroaniline||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-01-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-afcb49fc8af9fe26: {'100-01-6': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 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=['100-01-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17064']; candidate_pubchem_cids=[7200, 7475, 101282, 5251505]; selected_pubchem_cids=[7475]; 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 |
|---|---|---|---|---|---|
| 20,616 | bootstrap_labels | prefLabel | — | [{"@value":"4-nitroaniline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 20,617 | bootstrap_labels | name | 4-nitroaniline | — | Purged legacy name field to enforce prefLabel usage |
| 20,618 | bootstrap_labels | synonyms | ["1-Amino-4-nitrobenzene","4-NITRO-ANILINE","4-Nitraniline","4-Nitroanilene","4-Nitrobenzenamine","4-Nitrobenzeneamine"… | [] | Removed legacy synonyms field in favor of structured labels |
| 187,012 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 187,013 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 220,006 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,201 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,202 | enrich_references | skos_definition | — | [{"@value":"A nitroaniline carrying a nitro group at position 4.","@language":"en","provenance":{"prov:wasGeneratedBy":… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,203 | enrich_references | references | [] | [{"@id":"gmelin:27331","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['100-01-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17064']; candidate_pubchem_cids=[7200, 7475, 101282, 5251505]; selected_pubchem_cids=[7475]; 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 |
| 253,804 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | rdkit_pre_consensus from 'C1=CC(=CC=C1N)[N+](=O)[O-]'; added: monoisotopic_mass |
| 257,019 | chebi_altlabels | altLabel | [] | [{"@value":"1-amino-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,877 | consensus_match | altLabel | [{"@value":"1-amino-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-amino-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=4-nitroaniline||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=100-01-6; added Common Chemistry CAS names as altLabel: 4-Amino-1-nitrobenzene, 4-Aminonitrobenzene, 4-Nitro-1-aminobenzene, 4-Nitrobenzenamine, 4-Nitrophenylamine, <em>p</em>-Aminonitrobenze, <em>p</em>-Nitroaminobenzene, Aniline, <em>p</em>-nitro-, Azoamine Red Zh, Benzenamine, 4-nitro-, C.I. 37035, C.I. Azoic Diazo Component 37, C.I. Developer 17, Developer P, Devol Red GG, Fast Red 2G Base, Fast Red Base 2J, Fast Red Base GG, Fast Red GG Base, Fast Red MP Base, Fast Red P Base, NSC 9797, Naphtoelan Red GG Base, Nitrazol CF extra, PNA, Red 2G Base, Shinnippon Fast Red GG Base; object_uuid=fo-afcb49fc8af9fe26 |
| 262,878 | consensus_match | cas_match_labels | — | {"100-01-6":"exactMatch"} | group_key=4-nitroaniline||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-01-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-afcb49fc8af9fe26: {'100-01-6': 'exactMatch'} |
| 279,007 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-nitroaniline' |
| 285,833 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | rdkit_post_consensus from 'Nc1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,352 | strip_catalogue_altlabels | altLabel | [{"@value":"1-amino-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-amino-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 2 catalogue altLabel value(s): 'C.I. 37035' (registry code), 'NSC 9797' (registry code) |
| 374,534 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e52839f2-d923-… | associations resolved on the elementary layer |
| 393,389 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O2"]… | typed the way the ontology types it |
| 402,323 | 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/20260821T1554374006150000/20616 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v0 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v1 |
| ef:activity/change/20260821T1554374006150000/20617 | name | ef:agent/bootstrap_labels | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v1 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v2 |
| ef:activity/change/20260821T1554374006150000/20618 | synonyms | ef:agent/bootstrap_labels | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v2 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v3 |
| ef:activity/change/20260821T1554374006150000/187012 | context | ef:agent/default_context_mapping | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v3 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v4 |
| ef:activity/change/20260821T1554374006150000/187013 | context_iri | ef:agent/default_context_mapping | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v4 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v5 |
| ef:activity/change/20260821T1554374006150000/220006 | unit_iri | ef:agent/unit_normalization | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v5 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v6 |
| ef:activity/change/20260821T1554374006150000/246201 | properties | ef:agent/enrich_references | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v6 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v7 |
| ef:activity/change/20260821T1554374006150000/246202 | skos_definition | ef:agent/enrich_references | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v7 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v8 |
| ef:activity/change/20260821T1554374006150000/246203 | references | ef:agent/enrich_references | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v8 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v9 |
| ef:activity/change/20260821T1554374006150000/253804 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v9 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v10 |
| ef:activity/change/20260821T1554374006150000/257019 | altLabel | ef:agent/chebi_altlabels | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v10 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v11 |
| ef:activity/change/20260821T1554374006150000/262877 | altLabel | ef:agent/consensus_match | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v11 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v12 |
| ef:activity/change/20260821T1554374006150000/262878 | cas_match_labels | ef:agent/consensus_match | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v12 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v13 |
| ef:activity/change/20260821T1554374006150000/279007 | properties | ef:agent/opsin_iupac | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v13 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v14 |
| ef:activity/change/20260821T1554374006150000/285833 | properties | ef:agent/rdkit_post_consensus | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v14 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v15 |
| ef:activity/change/20260821T1554374006150000/291352 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v15 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v16 |
| ef:activity/change/20260821T1554374006150000/374534 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v16 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v17 |
| ef:activity/change/20260821T1554374006150000/393389 | properties | ef:agent/normalise_property_values | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v17 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v18 |
| ef:activity/change/20260821T1554374006150000/402323 | types | ef:agent/link_flows_to_their_substance | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v18 | ef:flow/e52839f2-d923-41f7-bcd2-f663552e3917/v19 |