Methyl iodide → (4-Methyl-3-phenyl-piperazin-1-yl)-(2'-trifluoromethyl-biphenyl-4-yl)-methanone

HRID 1127794Notes

Reaction equation

HRID 1127794 reaction equation
[CH3:42][C:43]#[N:44].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:45][CH2:46][Cl:47].[I:40][CH3:41].[c:1]1([CH:7]2[CH2:8][N:9]([C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[CH2:10][CH2:11][NH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][N:9]([C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[CH2:10][CH2:11][N:12]2[CH3:31])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 6328Methyl iodideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 57849547HCID 57849547, compound

Product 1

HCID 57849491(4-Methyl-3-phenyl-piperazin-1-yl)-(2'-trifluoromethyl-biphenyl-4-yl)-methanone

Sources & evidence

ORD record
ord-a06ff3b1b2724eec8a55d4b720eb0963
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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