{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:IT5IGQTJBJSR2EAKMR4AT74I6Q","short_pith_number":"pith:IT5IGQTJ","canonical_record":{"source":{"id":"2407.11230","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-07-15T20:39:26Z","cross_cats_sorted":[],"title_canon_sha256":"2720a96b044b40baad83e51694838c6f52a8330ae9d49b81358ccb7324247cb4","abstract_canon_sha256":"3c5abf021353f4ca3b243f95e2a5a1b46af11e19dd39467bf08cdebb9c1edd42"},"schema_version":"1.0"},"canonical_sha256":"44fa8342690a651d100a647809ff88f42fbc2b115a97b3804661b292c0866168","source":{"kind":"arxiv","id":"2407.11230","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2407.11230","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"arxiv_version","alias_value":"2407.11230v2","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2407.11230","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"pith_short_12","alias_value":"IT5IGQTJBJSR","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"pith_short_16","alias_value":"IT5IGQTJBJSR2EAK","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"pith_short_8","alias_value":"IT5IGQTJ","created_at":"2026-07-05T08:46:27Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:IT5IGQTJBJSR2EAKMR4AT74I6Q","target":"record","payload":{"canonical_record":{"source":{"id":"2407.11230","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-07-15T20:39:26Z","cross_cats_sorted":[],"title_canon_sha256":"2720a96b044b40baad83e51694838c6f52a8330ae9d49b81358ccb7324247cb4","abstract_canon_sha256":"3c5abf021353f4ca3b243f95e2a5a1b46af11e19dd39467bf08cdebb9c1edd42"},"schema_version":"1.0"},"canonical_sha256":"44fa8342690a651d100a647809ff88f42fbc2b115a97b3804661b292c0866168","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:46:27.707752Z","signature_b64":"41LYeb10E3AEdrG/mDqNO8NxtkdbloBgrKonYh+YNopvjkcWJ3+7Pj1afOkB4+GhBYDZyqIxrV8A3Wv3jZJ4Bg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"44fa8342690a651d100a647809ff88f42fbc2b115a97b3804661b292c0866168","last_reissued_at":"2026-07-05T08:46:27.707333Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:46:27.707333Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2407.11230","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T08:46:27Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"uyI6KiPKUIDzGAedbHMS94HmsiJeUtfe4U8n2Xp1XEewYPJ0RVHiL4b2mUw3MTzuusDZfzoZJpo5eGG2hjjQDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-10T12:06:33.443683Z"},"content_sha256":"8a132427ba229f2d7be75d2d3fc9326ef3504551bfae8c3b50d2d6f5b9e6ae66","schema_version":"1.0","event_id":"sha256:8a132427ba229f2d7be75d2d3fc9326ef3504551bfae8c3b50d2d6f5b9e6ae66"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:IT5IGQTJBJSR2EAKMR4AT74I6Q","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Insights into the Mechanism, Selectivity, and Substituent Effects in the Diels-Alder Reaction of Azatrienes with Electron-rich Dienophiles: An MEDT Study","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Abdeljabbar Jaddi Mohammed Salah, Amine Rafik, Khadija Marakchi, Miguel Carvajal, Najia Komiha","submitted_at":"2024-07-15T20:39:26Z","abstract_excerpt":"The reactivity and mechanistic intricacies of azatrienes in Diels-Alder reactions have been relatively unexplored despite their intriguing potential applications. In this study, we employ Molecular Electron Density Theory to theoretically investigate the hetero-Diels-Alder reaction involving azatrienes with ethyl vinyl ether and allenyl methyl ether. Analysis of Conceptual Density Functional Theory, energetic profiles, and the topological characteristics is conducted to elucidate the reactions. The revealed mechanism manifests as a polar one-step two-stages process under kinetic control. We es"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2407.11230","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2407.11230/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T08:46:27Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"OIRNGfigoIpSxLlkwh1daRanB9O7J4ItNjOpq7eM4Gg4GiKn56KHDtYaAnFNtw09ACvQendvGluRURX2cJToBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-10T12:06:33.444201Z"},"content_sha256":"eee2581974dfc840136f288b7f19f403978301c32918fb9752739ee0d9f5e10a","schema_version":"1.0","event_id":"sha256:eee2581974dfc840136f288b7f19f403978301c32918fb9752739ee0d9f5e10a"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q/bundle.json","state_url":"https://pith.science/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-08-10T12:06:33Z","links":{"resolver":"https://pith.science/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q","bundle":"https://pith.science/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q/bundle.json","state":"https://pith.science/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q/state.json","well_known_bundle":"https://pith.science/.well-known/pith/IT5IGQTJBJSR2EAKMR4AT74I6Q/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:IT5IGQTJBJSR2EAKMR4AT74I6Q","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"3c5abf021353f4ca3b243f95e2a5a1b46af11e19dd39467bf08cdebb9c1edd42","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-07-15T20:39:26Z","title_canon_sha256":"2720a96b044b40baad83e51694838c6f52a8330ae9d49b81358ccb7324247cb4"},"schema_version":"1.0","source":{"id":"2407.11230","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2407.11230","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"arxiv_version","alias_value":"2407.11230v2","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2407.11230","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"pith_short_12","alias_value":"IT5IGQTJBJSR","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"pith_short_16","alias_value":"IT5IGQTJBJSR2EAK","created_at":"2026-07-05T08:46:27Z"},{"alias_kind":"pith_short_8","alias_value":"IT5IGQTJ","created_at":"2026-07-05T08:46:27Z"}],"graph_snapshots":[{"event_id":"sha256:eee2581974dfc840136f288b7f19f403978301c32918fb9752739ee0d9f5e10a","target":"graph","created_at":"2026-07-05T08:46:27Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2407.11230/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The reactivity and mechanistic intricacies of azatrienes in Diels-Alder reactions have been relatively unexplored despite their intriguing potential applications. In this study, we employ Molecular Electron Density Theory to theoretically investigate the hetero-Diels-Alder reaction involving azatrienes with ethyl vinyl ether and allenyl methyl ether. Analysis of Conceptual Density Functional Theory, energetic profiles, and the topological characteristics is conducted to elucidate the reactions. The revealed mechanism manifests as a polar one-step two-stages process under kinetic control. We es","authors_text":"Abdeljabbar Jaddi Mohammed Salah, Amine Rafik, Khadija Marakchi, Miguel Carvajal, Najia Komiha","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-07-15T20:39:26Z","title":"Insights into the Mechanism, Selectivity, and Substituent Effects in the Diels-Alder Reaction of Azatrienes with Electron-rich Dienophiles: An MEDT Study"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2407.11230","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:8a132427ba229f2d7be75d2d3fc9326ef3504551bfae8c3b50d2d6f5b9e6ae66","target":"record","created_at":"2026-07-05T08:46:27Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"3c5abf021353f4ca3b243f95e2a5a1b46af11e19dd39467bf08cdebb9c1edd42","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-07-15T20:39:26Z","title_canon_sha256":"2720a96b044b40baad83e51694838c6f52a8330ae9d49b81358ccb7324247cb4"},"schema_version":"1.0","source":{"id":"2407.11230","kind":"arxiv","version":2}},"canonical_sha256":"44fa8342690a651d100a647809ff88f42fbc2b115a97b3804661b292c0866168","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"44fa8342690a651d100a647809ff88f42fbc2b115a97b3804661b292c0866168","first_computed_at":"2026-07-05T08:46:27.707333Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:46:27.707333Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"41LYeb10E3AEdrG/mDqNO8NxtkdbloBgrKonYh+YNopvjkcWJ3+7Pj1afOkB4+GhBYDZyqIxrV8A3Wv3jZJ4Bg==","signature_status":"signed_v1","signed_at":"2026-07-05T08:46:27.707752Z","signed_message":"canonical_sha256_bytes"},"source_id":"2407.11230","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:8a132427ba229f2d7be75d2d3fc9326ef3504551bfae8c3b50d2d6f5b9e6ae66","sha256:eee2581974dfc840136f288b7f19f403978301c32918fb9752739ee0d9f5e10a"],"state_sha256":"c7be0a3e533ca056e13e2a98a59f6fb379c76c67b0552f339ebec8db8b36deea"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bt/Duob4FNKyVFTr2hW6hZQALFfUJKro8NaZRYX0bff9b8nkJ/6zkdKNULYnYexi+O6sO33dsSj4vUpDVbfUAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-10T12:06:33.449761Z","bundle_sha256":"79854a5c2193574e7ffc3cc9434f0c13fbc72d1dab7dfbb9ba577e5e7aadcf16"}}