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Aniline → tert-Butyl [2-({4-[2-anilino-1-({[(methylamino)carbonyl]amino}methyl)-2-oxoethyl]-benzoyl}amino)-4-(3-thienyl)phenyl]carbamate

HRID 1919912
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HRID 1919912 반응식
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:19]=[CH:18][S:17][CH:16]=2)=[CH:11][C:10]=1[NH:20][C:21]([C:23]1[CH:28]=[CH:27][C:26]([CH:29]([CH2:33][NH:34][C:35]([NH:37][CH3:38])=[O:36])[C:30](O)=[O:31])=[CH:25][CH:24]=1)=[O:22])=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[NH2:60][C:61]1[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=1>CN(C=O)C>[NH:60]([C:30](=[O:31])[CH:29]([C:26]1[CH:25]=[CH:24][C:23]([C:21]([NH:20][C:10]2[CH:11]=[C:12]([C:15]3[CH:19]=[CH:18][S:17][CH:16]=3)[CH:13]=[CH:14][C:9]=2[NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:22])=[CH:28][CH:27]=1)[CH2:33][NH:34][C:35]([NH:37][CH3:38])=[O:36])[C:61]1[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 6115AnilineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 576119482-[4-({[2-[(Tert-butoxycarbonyl)amino]-5-(3-thienyl)phenyl]amino}carbonyl)-phenyl]-3-{[(methylamino)carbonyl]amino}propanoic acid

생성물 1

HCID 57611898tert-Butyl [2-({4-[2-anilino-1-({[(methylamino)carbonyl]amino}methyl)-2-oxoethyl]-benzoyl}amino)-4-(3-thienyl)phenyl]carbamate

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

2-[4-({[2-[(tert-Butoxycarbonyl)amino]-5-(3-thienyl)phenyl]amino}-carbonyl)phenyl]-3-{[(methylamino)carbonyl]amino}propanoic acid (104 mg, 0.19 mmol), EDCI (54 mg, 0.28 mmol), and HOBT (34 mg, 0.25 mmol) were combined in DMF (3 mL) and stirred for 10 minutes before adding aniline (26 μL, 0.28 mmol). The reaction was then stirred at room temperature for 2 h. The mixture was directly purified by reverse phase HPLC (45-95% MeCN/water) to give the title compound as a white solid. MS (ESI) calcd [M+H]+ 614.2, found 614.1.

후처리

  1. stirringThe reaction was then stirred at room temperature for 2 h
  2. customThe mixture was directly purified by reverse phase HPLC (45-95% MeCN/water)

출처 및 근거

ORD 기록
ord-da12f16cd21c4f8e8d480c4bdb63223f
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08168658B2

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