HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529618Generated: October 30, 2026
(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 → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((S,Z)-2-oxo-1-o-tolyl-2,3,4,7-tetrahydro-1H-azepin-3-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529618
Participants
| Role | Name | HCID | Charge |
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| 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 | — |
| Reactant | (S,Z)-3-Amino-1-o-tolyl-3,4-dihydro-1H-azepin-2(7H)-one trifluoroacetate | HCID 86706225 | — |
| Product | (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((S,Z)-2-oxo-1-o-tolyl-2,3,4,7-tetrahydro-1H-azepin-3-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 86706254 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-oxo-6-((S,Z)-2-oxo-1-o-tolyl-2,3,4,7-tetrahydro-1H-azepin-3-ylamino)hexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate was synthesized as described in General Procedure H using Intermediate 23 (29 mg, 0.051 mmol) and Intermediate 68 (17 mg, 0.051 mmol) to give a white solid (24 mg, 61% yield). Anal. Calcd. for C44H52N4O6S m/z 764.7. found: 765.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.45-6.98 (m, 12H), 6.98-6.84 (m, 2H), 5.89-5.70 (m, 2H), 5.39-5.21 (m, 2H), 5.11 (d, J=5.4 Hz, 1H), 5.04-4.91 (m, 1H), 4.81 (t, J=19.2 Hz, 1H), 4.45 (s, 2H), 3.98 (s, 1H), 3.67 (d, J=3.2 Hz, 3H), 3.63-3.43 (m, 1H), 3.09 (dd, J=25.8, 13.3 Hz, 1H), 2.95-2.62 (m, 5H), 2.54-2.21 (m, 4H), 2.16 and 2.12 (2s, 3H), 2.07-1.89 (m, 3H), 1.87-1.40 (m, 8H).
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-e1a0a89421c241f2b2e251d81233fbec |
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| Source note | uspto-grants-2016_05 |
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