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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529604Generated: 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,10aR)-6-oxodecahydropyrido[1,2-a]azepin-7-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate

https://huagongshe.com/reaction/529604

Reaction equation

Participants

RoleNameHCIDCharge
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 acidHCID 68311179—
Reactant(7S,10aR)-7-aminooctahydropyrido[1,2-a]azepin-6(7H)-one hydrochlorideHCID 86706215—
Product(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,10aR)-6-oxodecahydropyrido[1,2-a]azepin-7-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylateHCID 66546277—

Reaction Steps

(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,10aR)-6-oxodecahydropyrido[1,2-a]azepin-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 54 (4.7 mg, 0.021 mmol) to give a white solid (12 mg, 91% yield). Anal. Calcd. for C41H54N4O6S m/z 730.4. found: 731.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.32-7.07 (12H, m), 5.33 (1H, t, J=4.7 Hz), 5.15-5.08 (1H, m), 5.05-4.95 (1H, m), 4.83-4.72 (1H, m), 4.15 (1H, d, J=11.5 Hz), 3.88-3.77 (1H, m), 3.68 (3H, s), 3.15 (1H, ddd, J=14.2, 11.1, 2.7 Hz), 2.90-2.68 (6H, m), 2.51-2.35 (3H, m), 2.08-1.99 (2H, m), 1.85-1.42 (20H, m), 1.06-0.90 (1H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09346852B2
Source datasetuspto-grants-2016_05
ORD IDord-fb2b259723194bea817988a350b5f070
Source noteuspto-grants-2016_05