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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → (1aR,3aR,5S,7aR,15aS,Z)-5-(2-(4-ethynylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-9-methyl-N-(1-methylcyclopropylsulfonyl)-3,8-dioxo-1a,2,3,3a,4,5,6,7,7a,8,9,10,11,12,13,15a-hexadecahydro-1H-benzo[c]cyclopropa[g][1,6]diazacyclotetradecine-1a-carboxamide

HRID 926013
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인쇄 미리보기

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HRID 926013 반응식
[C:1]([C:3]1[N:4]=[C:5]([C:8]2[CH:17]=[C:16]([O:18][C@H:19]3[CH2:43][CH2:42][C@H:22]4[C:23](=[O:41])[N:24]([CH3:40])[CH2:25][CH2:26][CH2:27][CH2:28][CH:29]=[CH:30][C@@H:31]5[CH2:36][C@@:32]5([C:37]([OH:39])=O)[NH:33][C:34](=[O:35])[C@@H:21]4[CH2:20]3)[C:15]3[C:10](=[C:11]([CH3:46])[C:12]([O:44][CH3:45])=[CH:13][CH:14]=3)[N:9]=2)[S:6][CH:7]=1)#[CH:2].[CH3:47]CN=C=NCCCN(C)C.C[NH:59][S:60]([CH:63]1[CH2:65][CH2:64]1)(=[O:62])=[O:61].C1CCN2C(=NCCC2)CC1>C(Cl)Cl>[C:1]([C:3]1[N:4]=[C:5]([C:8]2[CH:17]=[C:16]([O:18][C@H:19]3[CH2:43][CH2:42][C@H:22]4[C:23](=[O:41])[N:24]([CH3:40])[CH2:25][CH2:26][CH2:27][CH2:28][CH:29]=[CH:30][C@@H:31]5[CH2:36][C@@:32]5([C:37]([NH:59][S:60]([C:63]5([CH3:47])[CH2:65][CH2:64]5)(=[O:62])=[O:61])=[O:39])[NH:33][C:34](=[O:35])[C@@H:21]4[CH2:20]3)[C:15]3[C:10](=[C:11]([CH3:46])[C:12]([O:44][CH3:45])=[CH:13][CH:14]=3)[N:9]=2)[S:6][CH:7]=1)#[CH:2]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 15334537N-methylcyclopropanesulfonamideHCID 88050653(1aR,3aR,5S,7aR,15aS,Z)-5-(2-(4-ethynylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-9-methyl-3,8-dioxo-1a,2,3,3a,4,5,6,7,7a,8,9,10,11,12,13,15a-hexadecahydro-1H-benzo[c]cyclopropa[g][1,6]diazacyclotetradecine-1a-carboxylic acid

생성물 1

HCID 88050651
(1aR,3aR,5S,7aR,15aS,Z)-5-(2-(4-ethynylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-9-methyl-N-(1-methylcyclopropylsulfonyl)-3,8-dioxo-1a,2,3,3a,4,5,6,7,7a,8,9,10,11,12,13,15a-hexadecahydro-1H-benzo[c]cyclopropa[g][1,6]diazacyclotetradecine-1a-carboxamide

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

To compound 46 (0.00003 mmol) in DCM (2 mL) under nitrogen was added EDCI (0.000062 mmol). The reaction mixture was stirred at room temperature for 2 hrs. Methyl-cyclopropylsulfonamide (0.00012 mmol) and DBU (0.00012 mmol) were then added and the reaction was stirred at room temperature for 16 hrs. DCM was then added, the mixture was washed with water and brine. Solvent was evaporated and the crude material was purified by silica gel chromatography (DCM/MeOH) to yield compound 52 as a white solid. MS (ESI, EI+): m/z=760 (MH+).

후처리

  1. stirringthe reaction was stirred at room temperature for 16 hrs
  2. washthe mixture was washed with water and brine
  3. customSolvent was evaporated
  4. customthe crude material was purified by silica gel chromatography (DCM/MeOH)

출처 및 근거

ORD 기록
ord-8f675c904444446990bdbe4c3ca96d1e
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09284307B2

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