Acetonitrile → 4-[4-(4-Fluorophenyl)-1-[1-(1-isoxazol-3-ylethyl)piperidin-4-yl]-1H-imidazol-5-yl}-N-methylpyrimidin-2-amine

HRID 205337Notes

Reaction equation

HRID 205337 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:27][S:28]([O:29][CH:32]([CH3:33])[c:34]1[n:35][o:36][cH:37][cH:38]1)(=[O:30])=[O:31].[CH3:45][C:46]#[N:47].[Cs+:43].[Cs+:44].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][n:11]([CH:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[c:12]2-[c:13]2[n:14][c:15]([NH:19][CH3:20])[n:16][cH:17][cH:18]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][n:11]([CH:21]3[CH2:22][CH2:23][N:24]([CH:32]([CH3:33])[c:34]4[n:35][o:36][cH:37][cH:38]4)[CH2:25][CH2:26]3)[c:12]2-[c:13]2[n:14][c:15]([NH:19][CH3:20])[n:16][cH:17][cH:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 99284384-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]-N-methylpyrimidin-2-amineHCID 574617131-Isoxazol-3-ylethyl methanesulfonate

Product 1

HCID 582351144-[4-(4-Fluorophenyl)-1-[1-(1-isoxazol-3-ylethyl)piperidin-4-yl]-1H-imidazol-5-yl}-N-methylpyrimidin-2-amine

Sources & evidence

ORD record
ord-3caa820503cf4bacb2ebcbb569f001c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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