proline dl-form → 1-(1-(4-methoxybenzyl)-4-(4-amino-2-fluorophenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N,N-dimethylpiperidin-4-amine

HRID 1231142Notes

Reaction equation

HRID 1231142 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([I:26])[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:27][cH:28]1.[CH3:29][N:30]([CH:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1)[CH3:37].[Cu:52][I:53].[K+:46].[K+:47].[NH:38]1[CH2:39][CH2:40][CH2:41][CH:42]1[C:43]([OH:44])=[O:45].[O-:48][C:49]([O-:50])=[O:51].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:34]3[CH2:33][CH2:32][CH:31]([N:30]([CH3:29])[CH3:37])[CH2:36][CH2:35]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:27][cH:28]1

Participants

8

Reactant 7

HCID 614proline dl-formHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 417391N,N-Dimethylpiperidin-4-amineHCID 672210033-Fluoro-4-((3-iodo-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)oxy)aniline

Product 1

HCID 685138871-(1-(4-methoxybenzyl)-4-(4-amino-2-fluorophenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N,N-dimethylpiperidin-4-amine

Sources & evidence

ORD record
ord-80d6fb94eb9d4e5eb492c85dbc60b990
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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