4,4'-methylene-bis(2-chloroaniline) Dihydrochloride
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9406-0050c2490048
By field
12 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 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=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['64049-29-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[46873, 5284426, 131856685]; selected_pubchem_cids=[46873, 5284426, 131856685]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,081 | bootstrap_labels | prefLabel | — | [{"@value":"4,4'-methylene-bis(2-chloroaniline) dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 9,082 | bootstrap_labels | name | 4,4'-methylene-bis(2-chloroaniline) dihydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 9,083 | bootstrap_labels | synonyms | ["4,4'-Methylene-bis(2-chloroaniline) hydrochloride","4,4'-Methylenebis(2-chloroanaline) dihydrochloride","4,4'-methane… | [] | Removed legacy synonyms field in favor of structured labels |
| 91,102 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 91,103 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 216,360 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,238 | normalize_name_case | prefLabel | [{"@value":"4,4'-methylene-bis(2-chloroaniline) dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"4,4'-methylene-bis(2-chloroaniline) Dihydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,872 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 235,873 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,874 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=64049-29-2","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['64049-29-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[46873, 5284426, 131856685]; selected_pubchem_cids=[46873, 5284426, 131856685]; 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 |
| 250,813 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | rdkit_pre_consensus from 'C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl'; added: molecular_mass, monoisotopic_mass |
| 262,327 | consensus_match | cas_match_labels | — | {"64049-29-2":"exactMatch"} | group_key=4,4'-methylene-bis(2-chloroaniline)dihydrochloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'64049-29-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db4ddcefac1689b3: {'64049-29-2': 'exactMatch'} |
| 275,999 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4,4'-methylene-bis(2-chloroaniline) Dihydrochloride' |
| 282,568 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | rdkit_post_consensus from 'Cl.Cl.Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,901 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H13Cl3N… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 326,557 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 397,917 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1554374006150000/9081 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/9082 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/9083 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/91102 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/91103 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/216360 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/223238 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/235872 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/235873 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/235874 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/250813 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/262327 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/275999 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/282568 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/286901 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/326557 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/397917 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9406-0050c2490048/v17 |