1,2-Dichloroethane → 3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 190284Notes

Reaction equation

HRID 190284 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:26][C:27](=[O:28])[OH:29].[Cl:44][CH2:45][CH2:46][Cl:47].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:12]1[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]1)[n:9][c:10]2[I:11].[Na+:43]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:12]1[CH2:13][CH2:14][CH:15]([N:23]3[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]3)[CH2:16][CH2:17]1)[n:9][c:10]2[I:11]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 223467294-(4-Amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexanone

Product 1

HCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-a4c67178246449d2b71a3e606eb0953b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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