Potassium Cation → (4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-pyrimidin-5-yl-1H-indol-2-yl]-methanone

HRID 161627Notes

Reaction equation

HRID 161627 reaction equation
[Br:30][c:31]1[cH:32][n:33][cH:34][n:35][cH:36]1.[C:45](=[O:46])([O-:47])[O-:48].[Cu:57][I:58].[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[K+:49].[K+:50].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:31]3[cH:32][n:33][cH:34][n:35][cH:36]3)[c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 46101,2-DiaminocyclohexaneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 783445-BromopyrimidineHCID 11603838(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanone

Product 1

HCID 16739594(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-pyrimidin-5-yl-1H-indol-2-yl]-methanone

Sources & evidence

ORD record
ord-973d172c5b104b018a90662d03972b37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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