Hydrochloric Acid → 6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile

HRID 685552

반응식

HRID 685552 반응식
[CH3:15][CH2:16][OH:17].[CH3:29][n:30]1[c:31]([CH:39]([CH2:40][NH:41][CH:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[OH:48])[n:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][cH:38]2.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([C:11]([F:12])([F:13])[F:14])[cH:7][c:8]([Cl:10])[n:9]1.[ClH:27].[ClH:28]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([C:11]([F:12])([F:13])[F:14])[cH:7][c:8]([N:45]2[CH2:44][CH2:43][CH:42]([NH:41][CH2:40][CH:39]([c:31]3[n:30]([CH3:29])[c:34]4[c:33]([n:32]3)[cH:38][cH:37][cH:36][cH:35]4)[OH:48])[CH2:47][CH2:46]2)[n:9]1

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 702EthanolHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 27367262,6-Dichloro-4-(trifluoromethyl)nicotinonitrileHCID 210646511-(1-Methylbenzimidazol-2-yl)-2-(piperidin-4-ylamino)ethanol

생성물 1

HCID 219281596'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile

출처 및 근거

ORD 기록
ord-83400a1d46ca49e899ee95dc1ea3ab49
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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