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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529633Generated: October 30, 2026

(4S,7S,10aS)-4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carbonitrile → (2R,5R)-2,5-Dibenzyl-N1-((4S,7S,10aS)-7-cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)hexanediamide

https://huagongshe.com/reaction/529633

Reaction equation

Participants

RoleNameHCIDCharge
Reactant(4S,7S,10aS)-4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carbonitrileHCID 68292315—
Reactant(2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanoic acidHCID 68310532—
Product(2R,5R)-2,5-Dibenzyl-N1-((4S,7S,10aS)-7-cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)hexanediamideHCID 71539991—

Reaction Steps

(2R,5R)-2,5-Dibenzyl-N1-((4S,7S,10aS)-7-cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)hexanediamide was synthesized as described in General Procedure H using Intermediate 70 (11 mg, 0.020 mmol) and Intermediate 36 (5.3 mg, 0.020 mmol) to give a white solid (4.7 mg, 31% yield). Anal. Calcd. for C43H51N5O5S m/z 749.7. found: 750.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.36-7.22 (6H, m), 7.22-7.11 (6H, m), 7.08 (2H, d, J=6.0 Hz), 6.96 (2H, d), 5.36 (1H, d, J=3.8 Hz), 5.24 (1H, d, J=4.9 Hz), 5.07-4.90 (1H, m), 4.89-4.74 (1H, m), 4.02-3.86 (1H, m), 3.79 (3H, s), 3.50-3.32 (1H, m), 3.07-2.60 (5H, m), 2.57-2.35 (2H, m), 2.15 (2H, t, J=13.2 Hz), 2.05-1.87 (3H, m), 1.85-1.62 (8H, m), 1.62-1.06 (6H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09346852B2
Source datasetuspto-grants-2016_05
ORD IDord-dd3dba1c2dd34ae4ae07f6c6f4a018bf
Source noteuspto-grants-2016_05