HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529636Generated: October 30, 2026
(4S,7S,10aS)-methyl 4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate → Methyl (4S,7S,10aS)-4-(((2S,5R)-5-benzyl-2-ethyl-6-(((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepin-4-yl)amino)-6-oxohexanoyl)amino)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529636
Participants
| Role | Name | HCID | Charge |
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| Reactant | (4S,7S,10aS)-methyl 4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 10563170 | — |
| Reactant | (2R,5S)-2-benzyl-5-ethylhexanedioic acid | HCID 68292029 | — |
| Product | Methyl (4S,7S,10aS)-4-(((2S,5R)-5-benzyl-2-ethyl-6-(((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepin-4-yl)amino)-6-oxohexanoyl)amino)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 86706266 | — |
Reaction Steps
Methyl (4S,7S,10aS)-4-(((2S,5R)-5-benzyl-2-ethyl-6-(((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepin-4-yl)amino)-6-oxohexanoyl)amino)-5-oxooctahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate was synthesized as described in General Procedure F using Intermediate 82 (33 mg, 0.13 mmol) and (4S,7S,10aS)-methyl 4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate (121 mg, 0.312 mmol) to give a white solid (25 mg, 27% yield). Anal. Calcd. for C37H52N4O8S2 m/z 744.3. found: 745.3 (M+H)+; 1H NMR (400 MHz, DMSO-d6) δ ppm 7.47 (m, 1H), 7.23-7.13 (m, 5H), 5.40-5.30 (m, 2H), 5.19-5.12 (m, 3H), 4.99 (m, 1H), 3.73 (s, 3H), 3.69 (s, 3H), 3.28-3.12 (m, 2H), 2.92-2.71 (m, 14H), 2.41 (m, 3H), 2.24 (m, 1H), 2.05-1.98 (m, 6H), 1.80-1.44 (m, 14H), 0.86 (t, J=7.4 Hz, 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-7aa6f0cfdf074431b3e5e079cd81275c |
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| Source note | uspto-grants-2016_05 |
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