Trifluoroacetic acid → 4-((piperidin-4-yl)methoxy)-N-(cis-4-methylcyclohexyl)-5-(4-morpholinophenyl)pyrimidin-2-amine

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 71108153Tert-butyl 4-((2-(cis-4-methylcyclohexylamino)-5-(4-morpholinophenyl)pyrimidin-4-yloxy)methyl)piperidine-1-carboxylate

생성물 1

HCID 711080504-((piperidin-4-yl)methoxy)-N-(cis-4-methylcyclohexyl)-5-(4-morpholinophenyl)pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-4c9f9e6c4cfe47529b0489e0b76c056a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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