Dichloromethane → 3-(4-amino-3-methoxyphenyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 174640

Reaction equation

HRID 174640 reaction equation
[Cl:1][CH2:2][Cl:3].[Cl:50][CH2:51][Cl:52].[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]([CH:43]3[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]3)[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]([CH:43]3[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]3)[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

Participants

4

Reactant 3

HCID 6344Dichloromethane2×HCID 6422Trifluoroacetic acidHCID 22347076tert-butyl N-{4-[4-amino-1-[1-(1-methylpiperidin-4-yl)-piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate

Product 1

HCID 223469753-(4-amino-3-methoxyphenyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-5536a8f4d7f24bbebfa43ba821db06f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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