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Ammonia → N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2,5-bis(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

HRID 1572825
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HRID 1572825 반응식
[CH3:66][OH:67].[CH:62]([OH:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:60].[F:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][N:40]([CH:43]2[CH2:44][CH2:45][N:46]([c:49]3[cH:50][c:51]([O:58][CH3:59])[c:52]([NH2:53])[cH:54][c:55]3[O:56][CH3:57])[CH2:47][CH2:48]2)[CH2:41][CH2:42]1.[NH3:61]>>[c:2]1([NH:53][c:52]2[c:51]([O:58][CH3:59])[cH:50][c:49]([N:46]3[CH2:45][CH2:44][CH:43]([N:40]4[CH2:39][CH2:38][N:37]([CH2:36][CH2:35][F:34])[CH2:42][CH2:41]4)[CH2:48][CH2:47]3)[c:55]([O:56][CH3:57])[cH:54]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][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 222AmmoniaHCID 313Hydrochloric AcidHCID 887MethanolHCID 3776IsopropanolHCID 594526854-{4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2,5-bis(methyloxy)anilineHCID 594529693-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-benzamide

생성물 1

HCID 59452735
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2,5-bis(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide

출처 및 근거

ORD 기록
ord-fdcaeb332b8a4805af2fac0946c2ade6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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