Chloride → (+)-4-(trans-4-n-Butylcyclohexylacetyl)-2'-fluoro-4'-(2-methylbutyl)biphenyl

HRID 1237018Notes

Reaction equation

HRID 1237018 reaction equation
[Al+3:34].[CH2:19]([CH2:20][CH2:21][CH3:22])[CH:23]1[CH2:24][CH2:25][CH:26]([CH2:29][C:30](=[O:31])[Cl:32])[CH2:27][CH2:28]1.[Cl-:33].[Cl-:35].[Cl-:36].[Cl:38][CH2:39][Cl:40].[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH2:8][CH:9]([CH2:10][CH3:11])[CH3:12])[cH:7]1.[OH2:37]>>[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][c:16]([C:30]([CH2:29][CH:26]3[CH2:25][CH2:24][CH:23]([CH2:19][CH2:20][CH2:21][CH3:22])[CH2:28][CH2:27]3)=[O:31])[cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH2:8][CH:9]([CH2:10][CH3:11])[CH3:12])[cH:7]1

Participants

7

Reactant 6

HCID 312Chloride3×HCID 962WaterHCID 6344DichloromethaneHCID 104727Aluminum CationHCID 13668699Trans-4-butylcyclohexylacetyl chlorideHCID 20184926(+)-2-Fluoro-4(2-methylbutyl)biphenyl

Product 1

HCID 20184936(+)-4-(trans-4-n-Butylcyclohexylacetyl)-2'-fluoro-4'-(2-methylbutyl)biphenyl

Sources & evidence

ORD record
ord-0de25e1def4a42a0a5f1ced5e1b2239b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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