Pyridine → 3-[2-(3-Piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-yl]pyrimidin-4-one

HRID 214620

Reaction equation

HRID 214620 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]4)[CH2:12][CH2:13]3)[s:8]2)[cH:20][cH:21]1.[CH3:29][NH:30][CH:31]1[CH2:32][CH2:33][CH2:34][CH2:35][CH:36]1[NH:37][CH3:38].[Cu:45].[Cu:46][I:47].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[n:22]1[cH:23][nH:24][c:25](=[O:28])[cH:26][cH:27]1>>[c:2]1(-[n:24]2[cH:23][n:22][cH:27][cH:26][c:25]2=[O:28])[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]4)[CH2:12][CH2:13]3)[s:8]2)[cH:20][cH:21]1

Participants

7

Reactant 6

HCID 1049PyridineHCID 206954-HydroxypyrimidineHCID 23978CopperHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 669061216-Bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole

Product 1

HCID 669055653-[2-(3-Piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-yl]pyrimidin-4-one

Sources & evidence

ORD record
ord-dce4bc3e238f44fa9954c4c3d83edc31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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