HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529592Generated: October 30, 2026
(S)-3-Amino-1-(3-methoxybenzyl)azepan-2-one → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(3-methoxybenzyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529592
Participants
| Role | Name | HCID | Charge |
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| Reactant | (S)-3-Amino-1-(3-methoxybenzyl)azepan-2-one | HCID 68292822 | — |
| 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-(3-methoxybenzyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 66548770 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(3-methoxybenzyl)-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 (7.0 mg, 0.012 mmol) and Intermediate 43 (3.1 mg, 0.012 mmol) to give a white solid (7.1 mg, 70% yield). Anal. Calcd. for C45H56N4O7S m/z 796.7. found: 797.7 (M+H)+; 1H NMR (500 MHz, CDCl3) δ ppm 7.25-7.19 (m, 5H), 7.19-7.11 (m, 8H), 6.85-6.72 (m, 3H), 5.33 (t, J=4.67 Hz, 1H), 5.12 (d, J=6.60 Hz, 1H), 5.04-4.95 (m, 1H), 4.63-4.43 (m, 3H), 3.78 (s, 3H), 3.67 (s, 3H), 3.46 (dd, J=15.12, 11.82 Hz, 1H), 3.24-3.12 (m, 3H), 2.86-2.70 (m, 5H), 2.46-2.37 (m, 3H), 2.02 (d, J=4.95 Hz, 1H), 1.84-1.49 (m, 11H), 1.28-1.23 (m, 3H).
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-257042caf925454a9065d67c1717d1c0 |
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| Source note | uspto-grants-2016_05 |
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