HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529599Generated: October 30, 2026
(S)-3-Amino-1-(4-chlorophenyl)azepan-2-one hydrochloride → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(4-chlorophenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529599
Participants
| Role | Name | HCID | Charge |
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| Reactant | (S)-3-Amino-1-(4-chlorophenyl)azepan-2-one hydrochloride | HCID 68292068 | — |
| 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-(4-chlorophenyl)-2-oxoazepan-3-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 68309903 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((S)-1-(4-chlorophenyl)-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 50 (3.4 mg, 0.012 mmol) to give a white solid (6.8 mg, 69% yield). Anal. Calcd. for C43H51ClN4O6S m/z 786.4. found: 787.4 (M+H)+; 1H NMR (500 MHz, CDCl3) δ ppm 7.33 (d, J=8.25 Hz, 2H), 7.22 (q, J=7.15 Hz, 4H), 7.19-7.10 (m, 6H), 7.11-7.04 (m, 2H), 6.89 (br. s., 1H), 6.85-6.73 (m, 1H), 5.31 (br. s., 1H), 5.14 (br. s., 1H), 4.98 (br. s., 1H), 4.78 (br. s., 1H), 3.92 (br. s., 1H), 3.68 (s, 3H), 3.61-3.52 (m, 1H), 3.24-3.08 (m, 1H), 2.92-2.75 (m, 3H), 2.76-2.65 (m, 2H), 2.46-2.26 (m, 3H), 2.09-1.43 (m, 17H).
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-335544cda72b4d87873a41f778f75253 |
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| Source note | uspto-grants-2016_05 |
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