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Hydrochloric Acid → N-(2,6-difluorophenyl)-5-[3-(2-{[4-{5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide

HRID 702734
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HRID 702734 반응식
[CH3:36][N:37]([CH3:38])[CH2:39][c:40]1[n:41][n:42][c:43](-[c:45]2[cH:46][c:47]([O:52][CH3:53])[c:48]([NH2:49])[cH:50][cH:51]2)[o:44]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:54].[F:55][CH2:56][C:57]([F:58])([F:59])[OH:60]>>[c:2]1([NH:49][c:48]2[c:47]([O:52][CH3:53])[cH:46][c:45](-[c:43]3[n:42][n:41][c:40]([CH2:39][N:37]([CH3:36])[CH3:38])[o:44]3)[cH:51][cH:50]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1
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반응물 4

HCID 313Hydrochloric AcidHCID 185647Ethanol, trifluoro-HCID 594525905-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamideHCID 594529104-{5-[(Dimethylamino)methyl]-1,3,4-oxadiazol-2-yl}-2-(methyloxy)aniline

생성물 1

HCID 59452889
N-(2,6-difluorophenyl)-5-[3-(2-{[4-{5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide

출처 및 근거

ORD 기록
ord-445d6bc21e6144059d953b2d120646ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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