HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529606Generated: October 30, 2026
(2R,5R)-2,5-Dibenzyl-6-((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylamino)-6-oxohexanoic acid → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,11aS)-6-oxodecahydro-1H-pyrido[1,2-a]azocin-7-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529606
Participants
| Role | Name | HCID | Charge |
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| Reactant | (2R,5R)-2,5-Dibenzyl-6-((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylamino)-6-oxohexanoic acid | HCID 68311179 | — |
| Reactant | (7S,11aS)-7-Aminooctahydro-1H-pyrido[1,2-a]azocin-6(2H)-one hydrogen chloride | HCID 86706219 | — |
| Product | (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,11aS)-6-oxodecahydro-1H-pyrido[1,2-a]azocin-7-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 68309894 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,11aS)-6-oxodecahydro-1H-pyrido[1,2-a]azocin-7-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate was synthesized as described in General Procedure H using Intermediate 23 (11 mg, 0.019 mmol) and Intermediate 56 (5.0 mg, 0.021 mmol) to give a white solid (11 mg, 80% yield). Anal. Calcd. for C42H56N4O6S m/z 744.4. found: 745.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.28-7.08 (11H, m), 7.05 (1H, d, J=7.1 Hz), 5.33 (1H, t, J=4.7 Hz), 5.15-5.09 (1H, m), 5.04-4.95 (1H, m), 4.82-4.73 (1H, m), 4.39 (1H, d, J=13.2 Hz), 4.16 (1H, d, J=12.6 Hz), 3.68 (3H, s), 3.16 (1H, t, J=11.5 Hz), 2.87-2.69 (5H, m), 2.52 (1H, td, J=13.2, 2.7 Hz), 2.46-2.34 (3H, m), 2.15 (1H, t, J=13.5 Hz), 2.07-1.99 (2H, m), 1.94-1.77 (2H, m), 1.76-1.37 (16H, m), 1.36-1.19 (2H, m), 1.08-0.94 (1H, m), 0.89-0.76 (1H, m).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09346852B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-cece23460adf4f069962e295c23ac768 |
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| Source note | uspto-grants-2016_05 |
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