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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0

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(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine → 8-phenyl-4-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

HRID 2088717

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HRID 2088717 반응식

CC1C=CC(S(O[C:12]2[C:13]3[CH2:23][CH2:22][CH2:21][CH2:20][C:19]([CH3:25])([CH3:24])[C:14]=3[N:15]=[C:16]([NH2:18])[N:17]=2)(=O)=O)=CC=1.[N:26]1(C(OC(C)(C)C)=O)[CH2:31][CH2:30][CH2:29][C@@H:28]2[CH2:32][NH:33][CH2:34][C@H:27]12.N1C[CH2:45][C@@H:44](NC(=O)OC(C)(C)C)[CH2:43]1>>[C:19]1([CH:20]2[C:12]3[N:17]=[C:16]([NH2:18])[N:15]=[C:14]([N:33]4[CH2:32][C@@H:28]5[C@@H:27]([NH:26][CH2:31][CH2:30][CH2:29]5)[CH2:34]4)[C:13]=3[CH2:23][CH2:22][CH2:21]2)[CH:24]=[CH:45][CH:44]=[CH:43][CH:25]=1

참가 물질 실험 절차 출처 및 근거 반응 노트

참가 물질

4

반응물 3

HCID 1514397(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine

HCID 1519436rel-1,1-Dimethylethyl (4aR,7aR)-octahydro-1H-pyrrolo(3,4-b)pyridine-1-carboxylate

HCID 866348802-amino-9,9-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl 4-methylbenzenesulfonate

생성물 1

HCID 444629548-phenyl-4-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

실험 절차

The title compound was prepared according to the procedures of Examples 1E and 1F, substituting the product from Example 9C for the product from Example 1D and substituting (4aR,7aR)-tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate for (R)-tert-butyl pyrrolidin-3-ylcarbamate. 1H NMR (300 MHz, CDCl3) δ 7.22 (m, J=4.36 Hz, 2H), 7.16 (m, 1H), 7.09 (d, J=8.33 Hz, 1H), 7.02 (d, J=8.72 Hz, 1H), 4.40 (s, 2H), 3.89 (m, 3H), 3.52 (m, 3H), 3.03 (m, 1H), 2.72 (m, 3H), 2.26 (m, 3H), 1.74 (m, 6H); MS (ESI+) m/z 350 (M+H)+.

출처 및 근거

ORD 기록: ord-e88e9d94d930429eb9da17dac65f7911
출처 데이터셋: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08436005B2

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