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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,2-Dichloroethane → 1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

HRID 386043
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HRID 386043 반응식
[NH2:1][C:2]([C:4]1[CH:8]=[C:7]([C:9]2[C:14]([F:15])=[CH:13][C:12]([C:16]([OH:19])([CH3:18])[CH3:17])=[CH:11][C:10]=2[F:20])[S:6][C:5]=1[NH:21][C:22]1[N:27]=[C:26]([CH2:28][N:29]2[CH:33]=[C:32]([C:34]([O-])=[O:35])[N:31]=[N:30]2)[CH:25]=[CH:24][CH:23]=1)=[O:3].[K+].C1C=CC2N(O)N=[N:44][C:42]=2C=1.C(Cl)CCl.Cl.CN.CCN(C(C)C)C(C)C>CN(C=O)C.O>[NH2:1][C:2]([C:4]1[CH:8]=[C:7]([C:9]2[C:10]([F:20])=[CH:11][C:12]([C:16]([OH:19])([CH3:17])[CH3:18])=[CH:13][C:14]=2[F:15])[S:6][C:5]=1[NH:21][C:22]1[N:27]=[C:26]([CH2:28][N:29]2[CH:33]=[C:32]([C:34]([NH:44][CH3:42])=[O:35])[N:31]=[N:30]2)[CH:25]=[CH:24][CH:23]=1)=[O:3]
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참가 물질

8

반응물 5

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 6364545Methylamine hydrochlorideHCID 68671625Potassium 1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxylate

생성물 1

HCID 59526258
1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

시약·촉매·용매 2

HCID 962Water용매HCID 6228Dimethylformamide용매

실험 절차

Potassium 1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxylate (111 mg, 0.20 mmol), HOBT (62 mg, 0.40 mmol), EDC (77 mg, 0.40 mmol), and methylamine hydrochloride (41 mg, 0.60 mmol) were combined in DMF (5.0 mL), and DIEA (105 μL, 0.60 mmol) was added. The reaction was stirred at room temperature overnight. The solution was diluted with water to precipitate an off-white solid that was collected by filtration, washed (water, MeOH, CH2Cl2), and dried to yield the title compound. 1H NMR (600 MHz, DMSO-d6) δ 12.15 (s, 1H), 8.55 (s, 1H), 8.30 (q, 1H), 7.86 (s, 1H), 7.73-7.66 (m, 2H), 7.36 (s, 1H), 7.21 (d, 2H), 7.03 (d, 1H), 6.80 (d, 1H), 5.71 (s, 2H), 5.27 (s, 1H), 2.66 (d, 3H), 1.42 (s, 6H). Calc'd for C24H24F2N7O3S [M+H]+ 528. found 528.

후처리

  1. customto precipitate an off-white solid
  2. filtrationthat was collected by filtration
  3. washwashed (water, MeOH, CH2Cl2)
  4. customdried

출처 및 근거

ORD 기록
ord-bf71fae2ad134b7391774f78b11f99bd
출처 데이터셋
uspto-grants-2013_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08367706B2

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