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Dimethylformamide → 1-(3-(7-Hydroxy-6-methoxyquinazolin-4-yloxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea

HRID 166145
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반응식

HRID 166145 반응식
[F:22][C:23]([C:24]([CH3:25])([CH3:26])[c:27]1[cH:28][c:29]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[n:30][o:31]1)([F:42])[F:43].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][cH:8][n:9][c:10]3[cH:11][c:12]([OH:18])[c:13]([O:16][CH3:17])[cH:14][c:15]23)[cH:19][cH:20][cH:21]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][cH:8][n:9][c:10]3[cH:11][c:12]([OH:18])[c:13]([O:16][CH3:17])[cH:14][c:15]23)[cH:19][cH:20][cH:21]1)[C:33]([NH:32][c:29]1[cH:28][c:27]([C:24]([C:23]([F:22])([F:42])[F:43])([CH3:25])[CH3:26])[o:31][n:30]1)=[O:34]
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참가 물질

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반응물 3

HCID 6228DimethylformamideHCID 66877298[5-(2,2,2-Trifluoro-1,1-dimethyl-ethyl)-isoxazol-3-yl]-carbamic acid phenyl esterHCID 1363377714-(3-Aminophenoxy)-6-methoxyquinazolin-7-ol

생성물 1

HCID 1360737511-(3-(7-Hydroxy-6-methoxyquinazolin-4-yloxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea

출처 및 근거

ORD 기록
ord-0928ff1e0a264f4785299d6cc1376f62
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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