Trifluoroacetic acid → 4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)piperidin-2-one

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 671555134-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)-1-(4-methoxybenzyl)piperidin-2-one

생성물 1

HCID 582549614-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)piperidin-2-one

출처 및 근거

ORD 기록: ord-f38c539312ed4657811bd89d5cd56ac5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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