Ethanolamine → 4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-2-(2-hydroxy-ethylamino)-6-(2,2,2-trifluoro-ethoxy)-pyrimidine-5-carbonitrile

HRID 313407Notes

Reaction equation

HRID 313407 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([O:8][OH:9])=[O:10])[cH:11]1.[F:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[n:26][c:27]([S:39]([CH3:40])(=[O:41])=[O:42])[n:28][c:29]([O:33][CH2:34][C:35]([F:36])([F:37])[F:38])[c:30]3[C:31]#[N:32])[CH2:23][CH2:24]2)[cH:17][cH:18]1.[NH2:43][CH2:44][CH2:45][OH:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[F:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[n:26][c:27]([NH:43][CH2:44][CH2:45][OH:46])[n:28][c:29]([O:33][CH2:34][C:35]([F:36])([F:37])[F:38])[c:30]3[C:31]#[N:32])[CH2:23][CH2:24]2)[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 700EthanolamineHCID 312751,4-DioxaneHCID 70297m-Chloroperbenzoic acidHCID 187531954-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-2-methanesulfonyl-6-(2,2,2-trifluoro-ethoxy)-pyrimidine-5-carbonitrile

Product 1

HCID 101380804-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-2-(2-hydroxy-ethylamino)-6-(2,2,2-trifluoro-ethoxy)-pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-1b4890ca738f43cabf6a48c99c0231a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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