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Dimethylformamide → N-(3-Fluoro-4-{[6-({[methyl(1-methylpiperidin-4-yl)amino]carbonyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HRID 1234068
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HRID 1234068 반응식
[CH3:41][N:42]1[CH2:43][CH2:44][CH:45]([NH:48][CH3:49])[CH2:46][CH2:47]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[c:1]1([O:7][C:8](=[O:2])[NH:9][c:10]2[n:11][cH:12][n:13][c:14]([O:16][c:17]3[c:18]([F:39])[cH:19][c:20]([NH:23][C:24](=[O:25])[C:26]4([C:29]([NH:30][c:31]5[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]5)=[O:38])[CH2:27][CH2:28]4)[cH:21][cH:22]3)[cH:15]2)[cH:3][cH:4][cH:5][cH:6][cH:40]1>>[O:7]=[C:8]([NH:9][c:10]1[n:11][cH:12][n:13][c:14]([O:16][c:17]2[c:18]([F:39])[cH:19][c:20]([NH:23][C:24](=[O:25])[C:26]3([C:29]([NH:30][c:31]4[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]4)=[O:38])[CH2:27][CH2:28]3)[cH:21][cH:22]2)[cH:15]1)[N:48]([CH:45]1[CH2:44][CH2:43][N:42]([CH3:41])[CH2:47][CH2:46]1)[CH3:49]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 6228DimethylformamideHCID 5663231-Methyl-4-(methylamino)piperidineHCID 59596966[6-(2-Fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyrimidin-4-yl]carbamic acid phenyl ester

생성물 1

HCID 25026979N-(3-Fluoro-4-{[6-({[methyl(1-methylpiperidin-4-yl)amino]carbonyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

출처 및 근거

ORD 기록
ord-bd31c112a776475785f647e3ad48c5cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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