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Hydrochloric Acid → 6-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinamide

HRID 2328736
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HRID 2328736 반응식
[CH2:57]([CH3:58])[O:59][c:60]1[cH:61][c:62]([CH:63]=[O:64])[cH:65][c:66]([O:69][CH2:70][CH3:71])[c:67]1[F:68].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[n:16][cH:17][c:18]([C:19](=[O:20])[NH2:21])[c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:12][CH2:13]2)[cH:28][c:29]1[O:30][CH2:31][CH2:32][CH3:33].[CH3:36][O:37][C:38](=[O:39])[c:40]1[c:41]([C:42]([F:43])([F:44])[F:45])[cH:46][c:47]([NH:48][CH:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[n:55][cH:56]1.[ClH:34].[ClH:35]>>[N:8]1([CH2:63][c:62]2[cH:61][c:60]([O:59][CH2:57][CH3:58])[c:67]([F:68])[c:66]([O:69][CH2:70][CH3:71])[cH:65]2)[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[NH2:21])[c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[CH2:12][CH2:13]1
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참가 물질

5

반응물 4

HCID 313Hydrochloric Acid2회HCID 42604214Methyl 6-(piperidin-4-ylamino)-4-(trifluoromethyl)pyridine-3-carboxylateHCID 426049596-[1-(4-Methoxy-3-propoxy-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinamideHCID 591282733,5-Diethoxy-4-fluoro-benzaldehyde

생성물 1

HCID 674006916-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinamide

출처 및 근거

ORD 기록
ord-f8a3f37bd5e54bd4addf6e765de6b4fc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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