Tetrahydrofuran → 4-(trans-4-n-Propylcyclohexyl)-3'-fluoro-4'-trifluoromethylbiphenyl

HRID 281066

Reaction equation

HRID 281066 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH2:9]([CH2:10][CH3:11])[CH:12]1[CH2:13][CH2:14][CH:15]([c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:16][CH2:17]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][N:6]([CH3:7])[CH3:8].[CH3:34][CH2:35][CH2:36][CH2:37][Li:38].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[F:47][n+:48]1[c:49]([CH3:50])[cH:51][c:52]([CH3:53])[cH:54][c:55]1[CH3:56].[S:39]([O-:40])([C:41]([F:42])([F:43])[F:44])(=[O:45])=[O:46]>>[CH2:9]([CH2:10][CH3:11])[CH:12]1[CH2:13][CH2:14][CH:15]([c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]([F:43])[c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:16][CH2:17]1

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8037N,N,N',N'-TetramethylethylenediamineHCID 8058HexaneHCID 6763911-Fluoro-2,4,6-trimethyl-pyridin-1-iumHCID 2758875TrifluoromethanesulfonateHCID 190390444-(trans-4-Propylcyclohexyl)-4'-(trifluoromethyl)-1,1'-biphenylHCID 178418339Butyllithium

Product 1

HCID 190390424-(trans-4-n-Propylcyclohexyl)-3'-fluoro-4'-trifluoromethylbiphenyl

Sources & evidence

ORD record
ord-4eb66149f9b3430c85e05e9b737f22e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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