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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529613Generated: October 29, 2026

(S)-3-Amino-1-(3-methoxyphenyl)azepan-2-one trifluoroacetate → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(3-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate

https://huagongshe.com/reaction/529613

Reaction equation

Participants

RoleNameHCIDCharge
Reactant(S)-3-Amino-1-(3-methoxyphenyl)azepan-2-one trifluoroacetateHCID 68292672—
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—
Product(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(3-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylateHCID 86706253—

Reaction Steps

(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(3-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate was synthesized as described in General Procedure H using Intermediate 23 (24 mg, 0.042 mmol) and Intermediate 65 (19 mg, 0.055 mmol) to give a white solid (21 mg, 62% yield). Anal. Calcd. for C44H54N4O7S m/z 782.7. found: 783.7 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.36-7.02 (m, 11H), 6.83 (dd, J=8.2, 2.1 Hz, 1H), 6.69 (dt, J=4.2, 1.6 Hz, 2H), 6.42 (s, 2H), 5.32 (t, J=4.6 Hz, 1H), 5.17-5.07 (m, 1H), 5.04-4.91 (m, 1H), 4.76 (dd, J=9.7, 6.9 Hz, 1H), 3.98 and 3.78 (2s, 3H), 3.93 (dd, J=15.4, 11.6 Hz, 1H), 3.68 (s, 3H), 3.63-3.54 (m, 1H), 3.16-3.06 (m, 1H), 2.90-2.67 (m, 5H), 2.53-2.32 (m, 3H), 2.07-1.79 (m, 5H), 1.79-1.43 (m, 11H), 1.40-1.23 (m, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09346852B2
Source datasetuspto-grants-2016_05
ORD IDord-03355fc7f0e34d829a9ad64f77245088
Source noteuspto-grants-2016_05