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Dichloromethane → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-{7-[1-(2,2-difluoroethyl)piperidin-4-yloxy]-6-methoxyquinazolin-4-yloxy}phenyl)urea

HRID 1202299
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HRID 1202299 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH:34]5[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]5)[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:61][CH2:62][Cl:63].[F:40][C:41]([F:42])([F:43])[S:44]([O:45][CH2:46][CH:47]([F:48])[F:49])(=[O:50])=[O:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH:34]5[CH2:35][CH2:36][N:37]([CH2:46][CH:47]([F:48])[F:49])[CH2:38][CH2:39]5)[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1
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5

반응물 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 27740892,2-Difluoroethyl trifluoromethanesulfonateHCID 668757291-(5-Tert-butylisoxazol-3-yl)-3-{3-[6-methoxy-7-(piperidin-4-yloxy)quinazolin-4-yloxy]phenyl}urea

생성물 1

HCID 582679181-(5-Tert-butylisoxazol-3-yl)-3-(3-{7-[1-(2,2-difluoroethyl)piperidin-4-yloxy]-6-methoxyquinazolin-4-yloxy}phenyl)urea

출처 및 근거

ORD 기록
ord-9c7a820533f34ee98416b06a73485006
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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