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1,2-Dichloroethane → 1-[4-(4-methylpiperazino)cyclohexyl]-3-{4-[(phenethylamino)(phenyl)methyl]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 89096
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HRID 89096 반응식
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH3:47][C:48](=[O:49])[OH:50].[CH:38](=[O:39])[CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:65][CH2:66][CH2:67][Cl:68].[NH2:1][CH:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11]([CH:19]3[CH2:20][CH2:21][CH:22]([N:25]4[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]4)[CH2:23][CH2:24]3)[c:12]3[n:13][cH:14][n:15][c:16]([NH2:18])[c:17]23)[cH:7][cH:8]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Na+:64]>>[NH:1]([CH:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11]([CH:19]3[CH2:20][CH2:21][CH:22]([N:25]4[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]4)[CH2:23][CH2:24]3)[c:12]3[n:13][cH:14][n:15][c:16]([NH2:18])[c:17]23)[cH:7][cH:8]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:38][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1
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HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium IonHCID 998PhenylacetaldehydeHCID 2724942TriacetoxyborohydrideHCID 20817036cis-3-{4-[amino(phenyl)methyl]phenyl}-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

생성물 1

HCID 22346684
1-[4-(4-methylpiperazino)cyclohexyl]-3-{4-[(phenethylamino)(phenyl)methyl]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

출처 및 근거

ORD 기록
ord-9a1a0b4c99394b3cbde2757ecd17c621
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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