Dimethylformamide → 2-(Biphenyl-4-ylmethyl)-6-(1-hydroxy-2-methylpropan-2-ylamino)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

반응식

[NH2:26][C:27]([CH2:28][OH:29])([CH3:30])[CH3:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[c:1]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][c:4]([CH2:7][n:8]2[n:9][c:10]3[n:11][c:12]([Cl:19])[n:13]([CH3:18])[c:14](=[O:17])[c:15]3[cH:16]2)[cH:5][cH:6]1>>[c:1]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][c:4]([CH2:7][n:8]2[n:9][c:10]3[n:11][c:12]([NH:26][C:27]([CH2:28][OH:29])([CH3:30])[CH3:31])[n:13]([CH3:18])[c:14](=[O:17])[c:15]3[cH:16]2)[cH:5][cH:6]1

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 118072-Amino-2-methyl-1-propanol

HCID 69194592HCID 69194592, 화합물

생성물 1

HCID 691966222-(Biphenyl-4-ylmethyl)-6-(1-hydroxy-2-methylpropan-2-ylamino)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

출처 및 근거

ORD 기록: ord-80ce00d2d1ab4eab9231a200058da895
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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