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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529605Generated: October 31, 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,11aR,Z)-6-oxo-2,3,4,6,7,8,9,11a-octahydro-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/529605

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,11aR,Z)-7-Amino-3,4,7,8,9,11a-hexahydro-1H-pyrido[1,2-a]azocin-6(2H)-one hydrochlorideHCID 86706217—
Product(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,11aR,Z)-6-oxo-2,3,4,6,7,8,9,11a-octahydro-1H-pyrido[1,2-a]azocin-7-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylateHCID 68311234—

Reaction Steps

(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((7S,11aR,Z)-6-oxo-2,3,4,6,7,8,9,11a-octahydro-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 55 (4.9 mg, 0.021 mmol) to give a white solid (10 mg, 74% yield). Anal. Calcd. for C42H54N4O6S m/z 742.4. found: 743.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.28-7.08 (12H, m), 5.94 (1H, t, J=9.3 Hz), 5.81-5.71 (1H, m), 5.33 (1H, t, J=4.7 Hz), 5.15-5.10 (1H, m), 5.04-4.95 (1H, m), 4.92-4.84 (1H, m), 4.73-4.65 (1H, m), 4.21 (1H, d, J=13.2 Hz), 3.68 (3H, s), 3.16 (1H, ddd, J=14.2, 11.1, 2.7 Hz), 2.87-2.65 (6H, m), 2.48-2.30 (4H, m), 2.18-2.07 (1H, m), 2.07-2.00 (2H, m), 1.91-1.42 (16H, m), 1.11-0.98 (1H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09346852B2
Source datasetuspto-grants-2016_05
ORD IDord-873583bf605342e9814436d7431fa76b
Source noteuspto-grants-2016_05