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Tetrahydrofuran → 5-{[1-(N-ethyl-N-methylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-8-fluoro-3-[(4 methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

HRID 1117906
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HRID 1117906 반응식
[CH2:31]([CH3:32])[N:33]([CH3:34])[CH2:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][c:41]2[cH:42][c:43]([O:48][CH3:49])[c:44]([NH2:47])[cH:45][c:46]21.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[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>>[c:2]1([NH:47][c:44]2[c:43]([O:48][CH3:49])[cH:42][c:41]3[c:46]([cH:45]2)[N:38]([C:36]([CH2:35][N:33]([CH2:31][CH3:32])[CH3:34])=[O:37])[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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참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 594416275-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-oneHCID 594420161-{[ethyl(methyl)amino]acetyl}-5-(methyloxy)-2,3-dihydro-1H-indol-6-amine

생성물 1

HCID 67316711
5-{[1-(N-ethyl-N-methylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]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-ec4a3e38e0ba47fc902938368d7d1ff8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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