Dimethylcarbamoyl Chloride
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-8f35-0050c2490048
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 122671' (registry code) |
| 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=dimethylcarbamoylchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-44-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbc8af6b6c8da530: {'79-44-7': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['79-44-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82280']; candidate_pubchem_cids=[6598, 84568, 53429340]; selected_pubchem_cids=[6598]; 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 |
|---|---|---|---|---|---|
| 22,504 | bootstrap_labels | prefLabel | — | [{"@value":"dimethylcarbamoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 22,505 | bootstrap_labels | name | dimethylcarbamoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 22,506 | bootstrap_labels | synonyms | ["(Dimethylamino)carbonyl chloride","AB1002802","AC1L1MVV","AC1Q3GBM","AC1Q3W34","AC1Q3W35","AKOS000120154","CARBAMIC A… | [] | Removed legacy synonyms field in favor of structured labels |
| 88,652 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 88,653 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 220,475 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,152 | normalize_name_case | prefLabel | [{"@value":"dimethylcarbamoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"Dimethylcarbamoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,453 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,454 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,455 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.844J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['79-44-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82280']; candidate_pubchem_cids=[6598, 84568, 53429340]; selected_pubchem_cids=[6598]; 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 |
| 254,165 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | rdkit_pre_consensus from 'CN(C)C(=O)Cl'; added: monoisotopic_mass |
| 266,140 | consensus_match | altLabel | [] | [{"@value":"(<em>N</em>,<em>N</em>-Dimethylamino)carbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=dimethylcarbamoylchloride||dimension=Environmental > media=Ground > geography=Agricultural; cas=79-44-7; added Common Chemistry CAS names as altLabel: (<em>N</em>,<em>N</em>-Dimethylamino)carbonyl chloride, (Dimethylamino)carbonyl chloride, 1-Chloro-<em>N</em>,<em>N</em>-dimethylformamide, <em>N</em>,<em>N</em>-Dimethylcarbamic acid chloride, <em>N</em>,<em>N</em>-Dimethylcarbamic chloride, <em>N</em>,<em>N</em>-Dimethylcarbamidoyl chloride, <em>N</em>,<em>N</em>-Dimethylcarbamoyl chloride, <em>N</em>,<em>N</em>-Dimethylcarbamyl chloride, <em>N</em>,<em>N</em>-Dimethylchloroformamide, Carbamic chloride, <em>N</em>,<em>N</em>-dimethyl-, Carbamic chloride, dimethyl-, Carbamoyl chloride, dimethyl-, Dimethylazanecarbonyl chloride, Dimethylcarbamic acid chloride, Dimethylcarbamyl chloride, Dimethylchloroformamide, NSC 122671; object_uuid=fo-dbc8af6b6c8da530 |
| 266,141 | consensus_match | cas_match_labels | — | {"79-44-7":"exactMatch"} | group_key=dimethylcarbamoylchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-44-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dbc8af6b6c8da530: {'79-44-7': 'exactMatch'} |
| 279,376 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethylcarbamoyl Chloride' |
| 286,251 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | rdkit_post_consensus from 'CN(C)C(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,607 | strip_catalogue_altlabels | altLabel | [{"@value":"(<em>N</em>,<em>N</em>-Dimethylamino)carbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"(N,N-Dimethylamino)carbonyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Removed 1 catalogue altLabel value(s): 'NSC 122671' (registry code) |
| 325,342 | 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 |
| 393,768 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6ClNO"]… | typed the way the ontology types it |
| 402,948 | 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/20260822T0600486828500000/22504 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/22505 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/22506 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/88652 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/88653 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/220475 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/226152 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/247453 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/247454 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/247455 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/254165 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/266140 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266141 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/279376 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/286251 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/291607 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/325342 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/393768 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/402948 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-8f35-0050c2490048/v19 |