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Hydrochloric Acid → N-{4-[(6-{[(4-Azetidin-1-ylpiperidin-1-yl)carbonyl]amino}pyrimidin-4-yl)oxy]-3-fluorophenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HRID 823127
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HRID 823127 반응식
[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:41].[ClH:42].[N:43]1([CH:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]2)[CH2:44][CH2:45][CH2:46]1.[OH2:60].[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:50]1[CH2:49][CH2:48][CH:47]([N:43]2[CH2:44][CH2:45][CH2:46]2)[CH2:52][CH2:51]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 231531094-(Azetidin-1-YL)piperidineHCID 59596966[6-(2-Fluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyrimidin-4-yl]carbamic acid phenyl ester

생성물 1

HCID 59596994
N-{4-[(6-{[(4-Azetidin-1-ylpiperidin-1-yl)carbonyl]amino}pyrimidin-4-yl)oxy]-3-fluorophenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

출처 및 근거

ORD 기록
ord-5a014aa31c124ea69c9ad178bda78ed2
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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