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Hydrochloric Acid → 6-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinic acid

HRID 213085
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반응식

HRID 213085 반응식
[CH2:1]([CH3:2])[O:3][c:4]1[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])[OH:21])[c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:12][CH2:13]2)[cH:28][cH:29][c:30]1[OH:31].[CH2:55]([O:56][c:57]1[cH:58][c:59]([CH:65]=[O:66])[cH:60][cH:61][c:62]1[O:63][CH3:64])[CH3:67].[CH3:34][O:35][C:36](=[O:37])[c:38]1[c:39]([C:40]([F:41])([F:42])[F:43])[cH:44][c:45]([NH:46][CH:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]2)[n:53][cH:54]1.[ClH:32].[ClH:33]>>[CH2:1]([CH3:2])[O:3][c:4]1[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])[OH:21])[c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:12][CH2:13]2)[cH:28][cH:29][c:30]1[O:31][CH3:34]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 313Hydrochloric Acid2회HCID 2447283-Ethoxy-4-methoxybenzaldehydeHCID 42604214Methyl 6-(piperidin-4-ylamino)-4-(trifluoromethyl)pyridine-3-carboxylateHCID 674010866-[1-(3-Ethoxy-4-hydroxy-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinic acid

생성물 1

HCID 673989396-[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinic acid

출처 및 근거

ORD 기록
ord-8be9158dbf5f4a0294ef5327df772e7d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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