HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529610Generated: October 30, 2026
(S)-3-amino-1-(2-methoxyphenyl)azepan-2-one trifluoroacetate → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529610
Participants
| Role | Name | HCID | Charge |
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| Reactant | (S)-3-amino-1-(2-methoxyphenyl)azepan-2-one trifluoroacetate | HCID 68292209 | — |
| 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 acid | HCID 68311179 | — |
| Product | (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 68310959 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(2-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 (23 mg, 0.040 mmol) and Intermediate 62 (14 mg, 0.040 mmol) to give a white solid (10 mg, 31% yield). Anal. Calcd. for C44H54N4O7S m/z 782.4. found: 783.3 (M+H)+; 1H NMR (400 MHz, chloroform-d) δ ppm 7.08-7.33 (10H, m), 6.98-7.08 (2H, m), 6.91-6.98 (2H, m), 5.31 (1H, t, J=4.67 Hz), 5.08-5.18 (1H, m), 4.91-5.02 (1H, m), 4.76 (1H, dd, J=10.17, 6.32 Hz), 4.03-4.35 (4H, m), 3.84-3.96 (1H, m), 3.80 (3H, s), 3.68 (3H, s), 3.29-3.46 (1H, m), 3.04-3.23 (2H, m), 2.65-2.91 (5H, m), 2.30-2.49 (3H, m), 1.90-2.05 (3H, m), 1.57-1.90 (8H, m), 1.41-1.56 (3H, m).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09346852B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-590ca75cfea94374b2d16232aa4d242d |
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| Source note | uspto-grants-2016_05 |
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