Di-tert-butyl Dicarbonate
Everything that changed this flow. Back to the flow
751e6877-c68f-496b-b47e-26bb43490a2c
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=di-tert-butyldicarbonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'24424-99-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f4558144b180669f: {'24424-99-5': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['24424-99-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48500']; candidate_pubchem_cids=[1983, 8419, 90495, 53429631, 121534377]; selected_pubchem_cids=[90495]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,503 | bootstrap_labels | prefLabel | — | [{"@value":"di-tert-butyl dicarbonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 6,504 | bootstrap_labels | name | di-tert-butyl dicarbonate | — | Purged legacy name field to enforce prefLabel usage |
| 6,505 | bootstrap_labels | synonyms | ["organic","di(tert-butyl)carbonate","ditert-butyldicarbonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 119,516 | 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) |
| 119,517 | 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) |
| 215,510 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,585 | normalize_name_case | prefLabel | [{"@value":"di-tert-butyl dicarbonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"Di-tert-butyl Dicarbonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,424 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,425 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,426 | enrich_references | references | [] | [{"@id":"beilstein:1911173","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['24424-99-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48500']; candidate_pubchem_cids=[1983, 8419, 90495, 53429631, 121534377]; selected_pubchem_cids=[90495]; 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 |
| 250,115 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | rdkit_pre_consensus from 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C'; added: monoisotopic_mass |
| 255,178 | chebi_altlabels | altLabel | [] | [{"@value":"BOC-anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,631 | consensus_match | altLabel | [{"@value":"BOC-anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"BOC-anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=di-tert-butyldicarbonate||dimension=Environmental > media=Air > indoor=Unknown; cas=24424-99-5; added Common Chemistry CAS names as altLabel: (2-Methylprop-2-yl)oxidanecarboxylicanhydride, (Boc)<sub>2</sub>O, <em>tert</em>-Butoxycarbonyl anhydride, <em>tert</em>-Butoxycarbonyl tert-butyl carbonate, <em>tert</em>-Butoxycarboxylic anhydride, <em>tert</em>-Butyl dicarbonate, Bis(1,1-dimethylethyl) dicarbonate, Bis(<em>tert</em>-butoxycarbonyl) ether, Bis(<em>tert</em>-butyl) dicarbonate, Boc anhydride, Di-<em>tert</em>-butyl oxydiformate, Di-<em>tert</em>-butyl pyrocarbonate, Di-<em>tert</em>-butyldicarbonate, Dicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester, Dicarbonic acid, bis(1,1-dimethylethyl) ester, Formic acid, oxydi-, di-<em>tert</em>-butyl ester, Pyrocarbonic acid di-<em>tert</em>-butyl ester; object_uuid=fo-f4558144b180669f |
| 265,632 | consensus_match | cas_match_labels | — | {"24424-99-5":"exactMatch"} | group_key=di-tert-butyldicarbonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'24424-99-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f4558144b180669f: {'24424-99-5': 'exactMatch'} |
| 275,252 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Di-tert-butyl Dicarbonate' |
| 281,758 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | rdkit_post_consensus from 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,320 | dedupe_altlabels | altLabel | [{"@value":"BOC-anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"BOC-anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Deduplicated altLabel values and removed entries matching prefLabel |
| 340,756 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/751e6877-c68f-… | associations resolved on the elementary layer |
| 389,556 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O5"]… | typed the way the ontology types it |
| 396,758 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/6503 | prefLabel | ef:agent/bootstrap_labels | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v0 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v1 |
| ef:activity/change/20260822T0600486828500000/6504 | name | ef:agent/bootstrap_labels | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v1 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v2 |
| ef:activity/change/20260822T0600486828500000/6505 | synonyms | ef:agent/bootstrap_labels | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v2 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v3 |
| ef:activity/change/20260822T0600486828500000/119516 | context | ef:agent/default_context_mapping | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v3 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v4 |
| ef:activity/change/20260822T0600486828500000/119517 | context_iri | ef:agent/default_context_mapping | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v4 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v5 |
| ef:activity/change/20260822T0600486828500000/215510 | unit_iri | ef:agent/unit_normalization | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v5 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v6 |
| ef:activity/change/20260822T0600486828500000/222585 | prefLabel | ef:agent/normalize_name_case | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v6 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v7 |
| ef:activity/change/20260822T0600486828500000/233424 | properties | ef:agent/enrich_references | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v7 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v8 |
| ef:activity/change/20260822T0600486828500000/233425 | skos_definition | ef:agent/enrich_references | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v8 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v9 |
| ef:activity/change/20260822T0600486828500000/233426 | references | ef:agent/enrich_references | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v9 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v10 |
| ef:activity/change/20260822T0600486828500000/250115 | properties | ef:agent/rdkit_pre_consensus | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v10 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v11 |
| ef:activity/change/20260822T0600486828500000/255178 | altLabel | ef:agent/chebi_altlabels | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v11 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v12 |
| ef:activity/change/20260822T0600486828500000/265631 | altLabel | ef:agent/consensus_match | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v12 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v13 |
| ef:activity/change/20260822T0600486828500000/265632 | cas_match_labels | ef:agent/consensus_match | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v13 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v14 |
| ef:activity/change/20260822T0600486828500000/275252 | properties | ef:agent/opsin_iupac | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v14 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v15 |
| ef:activity/change/20260822T0600486828500000/281758 | properties | ef:agent/rdkit_post_consensus | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v15 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v16 |
| ef:activity/change/20260822T0600486828500000/292320 | altLabel | ef:agent/dedupe_altlabels | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v16 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v17 |
| ef:activity/change/20260822T0600486828500000/340756 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v17 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v18 |
| ef:activity/change/20260822T0600486828500000/389556 | properties | ef:agent/normalise_property_values | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v18 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v19 |
| ef:activity/change/20260822T0600486828500000/396758 | types | ef:agent/link_flows_to_their_substance | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v19 | ef:flow/751e6877-c68f-496b-b47e-26bb43490a2c/v20 |