Acetic Acid → 4-(3-chloro-phenylamino)-3-(cyclohexyl-methyl-amino)-1H-pyrazolo[3,4-d]pyrimidine

반응식

[CH3:27][C:28](=[O:29])[OH:30].[CH:19]1([CH:25]=[O:26])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1.[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12>>[N:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)([CH:19]1[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1)[CH3:27]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 16275Cyclohexanecarboxaldehyde

HCID 178509242HCID 178509242, 화합물

생성물 1

HCID 211906924-(3-chloro-phenylamino)-3-(cyclohexyl-methyl-amino)-1H-pyrazolo[3,4-d]pyrimidine

출처 및 근거

ORD 기록: ord-0e2b539d47d74eb393fe5cef5fbe864f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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