Dichloromethane → 3-(4-amino-3-methoxyphenyl)-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 1235992

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane2회

HCID 6422Trifluoroacetic acid

HCID 22347171tert-butyl N-{4-[4-amino-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate

생성물 1

HCID 223470163-(4-amino-3-methoxyphenyl)-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

출처 및 근거

ORD 기록: ord-6067b2c73f9141b2926fbd5d1b54b73d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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