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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,2-Dichloroethane → 6-cyclopropyl-1-(1,1-dimethylethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

HRID 1522527
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HRID 1522527 반응식
[CH:1]1([C:4]2[CH:5]=[C:6]([C:18]([OH:20])=O)[C:7]3[C:12]([CH3:13])=[N:11][N:10]([C:14]([CH3:17])([CH3:16])[CH3:15])[C:8]=3[N:9]=2)[CH2:3][CH2:2]1.[NH2:21][CH2:22][C:23]1[C:24](=[O:33])[NH:25][C:26]([CH3:32])=[CH:27][C:28]=1[CH2:29][CH2:30][CH3:31].ON1C2N=CC=CC=2N=N1.C(Cl)CCl.CN1CCOCC1>CS(C)=O.O>[CH:1]1([C:4]2[CH:5]=[C:6]([C:18]([NH:21][CH2:22][C:23]3[C:24](=[O:33])[NH:25][C:26]([CH3:32])=[CH:27][C:28]=3[CH2:29][CH2:30][CH3:31])=[O:20])[C:7]3[C:12]([CH3:13])=[N:11][N:10]([C:14]([CH3:15])([CH3:17])[CH3:16])[C:8]=3[N:9]=2)[CH2:3][CH2:2]1
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참가 물질

8

반응물 5

HCID 111,2-DichloroethaneHCID 79724-MethylmorpholineHCID 181649HOAtHCID 398706041-tert-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidHCID 671241403-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate

생성물 1

HCID 71543566
6-cyclopropyl-1-(1,1-dimethylethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

시약·촉매·용매 2

HCID 679Dimethyl Sulfoxide용매HCID 962Water용매

실험 절차

6-cyclopropyl-1-(1,1-dimethylethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (53 mg, 0.194 mmol), 3-(aminomethyl)-6-methyl-4-propyl-2(1H)-pyridinone (71.3 mg, 0.242 mmol), 1-hydroxy-7-azabenzotriazole (52.8 mg, 0.388 mmol), EDC (74.3 mg, 0.388 mmol) and N-methylmorpholine (0.085 mL, 0.776 mmol) were suspended in Dimethyl Sulfoxide (DMSO) (10 mL) and stirred at room temperature for 16 hours. Added 25 mL of water and stirred for 10 minutes. The contents were filtered and dried, and collected as 70 mg. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.93 (t, J=7.33 Hz, 3 H), 0.96-1.09 (m, 4 H), 1.54 (m, J=7.52, 7.52, 7.52, 7.52, 7.33 Hz, 2 H), 1.68 (s, 9 H), 2.12 (s, 2 H), 2.17-2.27 (m, 1 H), 2.33 (s, 3 H), 2.5(2 H), 4.34 (d, J=5.05 Hz, 2 H), 5.89 (s, 1H), 7.01 (s, 1 H), 8.54 (t, J=4.80 Hz, 1 H), 11.50 (s, 1 H). LCMS(ES) [M+H]+ 436.1.

후처리

  1. stirringstirred for 10 minutes
  2. filtrationThe contents were filtered
  3. customdried
  4. customcollected as 70 mg

출처 및 근거

ORD 기록
ord-43c9310a165348c4835cf1f7bd690a59
출처 데이터셋
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09073924B2

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