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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Tetrahydrofuran → 5-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

HRID 2155502
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HRID 2155502 반응식
[CH3:31][N:32]([CH3:33])[CH2:34][C:35](=[O:36])[N:37]1[CH2:38][CH2:39][CH2:40][c:41]2[cH:42][c:43]([O:48][CH2:49][CH3:50])[c:44]([NH2:47])[cH:45][c:46]21.[Cl:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[n:7][c:8]4[cH:9][cH:10][cH:11][c:12]([F:17])[c:13]4[c:14](=[O:16])[n:15]13)[cH:18][cH:19][n:20]2[S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[c:2]1([NH:47][c:44]2[c:43]([O:48][CH2:49][CH3:50])[cH:42][c:41]3[c:46]([cH:45]2)[N:37]([C:35]([CH2:34][N:32]([CH3:31])[CH3:33])=[O:36])[CH2:38][CH2:39][CH2:40]3)[n:3][c:4]2[c:5]([c:6]3[n:7][c:8]4[cH:9][cH:10][cH:11][c:12]([F:17])[c:13]4[c:14](=[O:16])[n:15]13)[cH:18][cH:19][n:20]2[S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1
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반응물 3

HCID 8028TetrahydrofuranHCID 594416275-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-oneHCID 594421011-[(Dimethylamino)acetyl]-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinamine

생성물 1

HCID 673170085-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

출처 및 근거

ORD 기록
ord-42b3821fc8e14cf2a2c1a36491493377
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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