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Tetrahydrofuran → 1-[3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]-3-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea

HRID 1127202
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HRID 1127202 반응식
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:32]([O:41][c:42]3[cH:43][c:44]([NH2:45])[cH:46][cH:47][cH:48]3)[n:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH3:40].[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:23]([F:24])([F:25])[F:26])[cH:11][c:12]2[NH:13][C:14]([O:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:22])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:23]([F:24])([F:25])[F:26])[cH:11][c:12]2[NH:13][C:14](=[O:22])[NH:45][c:44]2[cH:43][c:42]([O:41][c:32]3[c:31]4[cH:30][c:29]([O:28][CH3:27])[c:38]([O:39][CH3:40])[cH:37][c:36]4[n:35][cH:34][n:33]3)[cH:48][cH:47][cH:46]2)[cH:6][cH:7]1
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참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 498410023-[(6,7-Dimethoxy-4-quinazolinyl)oxy]anilineHCID 67159315phenyl 1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ylcarbamate

생성물 1

HCID 582679031-[3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]-3-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea

출처 및 근거

ORD 기록
ord-2a14ffd9e26543718b8dbfdac16e30e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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