HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1055459Generated: October 30, 2026
2-(4-(Hydroxymethyl)-1H-indol-1-yl)benzonitrile → (S)-N-((S)-5-((1-(2-Cyanophenyl)-1H-indol-4-yl)methyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide
https://huagongshe.com/reaction/1055459
Participants
| Role | Name | HCID | Charge |
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| Reactant | 2-(4-(Hydroxymethyl)-1H-indol-1-yl)benzonitrile | HCID 18950404 | — |
| Reactant | tert-Butyl methyl((S)-1-oxo-1-((S)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-ylamino)propan-2-yl)carbamate | HCID 72713380 | — |
| Product | (S)-N-((S)-5-((1-(2-Cyanophenyl)-1H-indol-4-yl)methyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide | HCID 73055138 | 10.3% |
Reaction Steps
In a similar manner to that described for Example 57 except in Step 1 the mixture was heated at 60° C. for 2.5 d and in Step 2 the material was purified by silica gel chromatography, tert-butyl methyl((S)-1-oxo-1-((S)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-ylamino) propan-2-yl)carbamate (250 mg, 688 μmol, Eq: 1.00), 2-(4-(hydroxymethyl)-1H-indol-1-yl)benzonitrile (440 mg, 1.77 mmol, Eq: 2.58) was converted to the title compound (35 mg) as a white solid. MS m/z 494 (MH+)
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09394263B2 |
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| Source dataset | uspto-grants-2016_07 |
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| ORD ID | ord-33f3f2b4c255446d999e3b4ab2804e1f |
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| Source note | uspto-grants-2016_07 |
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