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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529623Generated: October 30, 2026

(4S,7R,10aS)-4-Amino-7-methylhexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one → (2R,5R)-2,5-Dibenzyl-N1-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-N6-((4S,7R,10aS)-7-methyl-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide

https://huagongshe.com/reaction/529623

Reaction equation

Participants

RoleNameHCIDCharge
Reactant(4S,7R,10aS)-4-Amino-7-methylhexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-oneHCID 60127973—
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-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-N6-((4S,7R,10aS)-7-methyl-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamideHCID 86706258—

Reaction Steps

(2R,5R)-2,5-Dibenzyl-N1-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-N6-((4S,7R,10aS)-7-methyl-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide was synthesized as described in General Procedure H using Intermediate 70 (13 mg, 0.024 mmol) and Intermediate 72 (5.7 mg, 0.026 mmol) to give a white solid (14 mg, 77% yield). Anal. Calcd. for C43H54N4O5S m/z 738.7. found: 739.6 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.35-6.88 (m, 14H), 5.28 (d, J=4.5 Hz, 1H), 4.97-4.89 (m, 1H), 4.85-4.73 (m, 1H), 4.66-4.54 (m, 1H), 3.98 and 3.79 (s, 3H), 3.96-3.83 (m, 1H), 3.54-3.29 (m, 2H), 3.14-2.90 (m, 2H), 2.88-2.66 (m, 4H), 2.64-2.36 (m, 3H), 2.12-1.40 (m, 16H), 1.32 (d, J=6.9 Hz, 3H), 1.30-1.13 (m, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09346852B2
Source datasetuspto-grants-2016_05
ORD IDord-a7a97f9265734c16ba069703d0b148c7
Source noteuspto-grants-2016_05