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Sodium Ion → N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[2-(ethyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 1537281
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HRID 1537281 반응식
[CH2:37]([CH3:38])[O:39][c:40]1[c:41]([NH2:42])[cH:43][cH:44][c:45]([N:47]2[CH2:48][CH2:49][N:50]([CH2:53][CH2:54][CH3:55])[CH2:51][CH2:52]2)[cH:46]1.[CH3:67][O-:68].[CH:70]([OH:71])([CH3:72])[CH3:73].[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][CH2:35][CH3:36])[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.[Na+:69].[c:56]1([CH3:57])[cH:58][cH:59][c:60]([S:61]([OH:62])(=[O:63])=[O:64])[cH:65][cH:66]1>>[c:2]1([NH:42][c:41]2[c:40]([O:39][CH2:37][CH3:38])[cH:46][c:45]([N:47]3[CH2:48][CH2:49][N:50]([CH2:53][CH2:54][CH3:55])[CH2:51][CH2:52]3)[cH:44][cH:43]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][CH2:35][CH3:36])[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
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 3826051MethoxideHCID 594526092-(Ethyloxy)-4-(4-propyl-1-piperazinyl)anilineHCID 594529415-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(ethyloxy)benzamide

생성물 1

HCID 59452743
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-[3-(2-{[2-(ethyloxy)-4-(4-propyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

출처 및 근거

ORD 기록
ord-80a8e23671ae445c9fd47d7d480eafd9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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