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Water → N-(4-tert-Butylphenyl)-1-(3-(trifluoromethyl)pyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide

HRID 93770
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인쇄 미리보기

반응식

HRID 93770 반응식
[C:31]([CH3:32])([CH3:33])([CH3:34])[c:35]1[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:42][CH2:43][Cl:44].[F:1][C:2]([c:3]1[c:4]([N:9]2[CH2:10][CH2:11][C:12]([C:15](=[O:16])[OH:17])=[CH:13][CH2:14]2)[n:5][cH:6][cH:7][cH:8]1)([F:18])[F:19].[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[OH2:54].[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[F:1][C:2]([c:3]1[c:4]([N:9]2[CH2:10][CH2:11][C:12]([C:15](=[O:17])[NH:39][c:38]3[cH:37][cH:36][c:35]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:41][cH:40]3)=[CH:13][CH2:14]2)[n:5][cH:6][cH:7][cH:8]1)([F:18])[F:19]
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반응물 7

HCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 698614-Tert-ButylanilineHCID 21904722HCID 21904722, 화합물

생성물 1

HCID 11407011
N-(4-tert-Butylphenyl)-1-(3-(trifluoromethyl)pyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide

출처 및 근거

ORD 기록
ord-3a08e085c54946e4b8bdf0b075af186d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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