Ethanol → 3-cyclohexylpropanenitrile

HRID 289889

Reaction equation

HRID 289889 reaction equation
[BH4-:19].[C-:54]#[N:55].[CH2:66]([OH:67])[CH3:68].[CH3:21][S:22]([OH:23])(=[O:24])=[O:25].[CH:10]1([CH2:11][CH2:12][OH:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:1]1([CH2:7][CH:8]=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:56][CH2:57][Cl:58].[Na+:20].[O-:26][S:27]([c:28]1[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]1)(=[O:35])=[O:36].[O-:37][S:38]([C:39]([F:40])([F:41])[F:42])(=[O:43])=[O:44].[S:45]([Cl:46])([Cl:47])(=[O:48])=[O:49].[SH:50](=[O:51])(=[O:52])[O-:53].[c:59]1([CH3:60])[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH:1]1([CH2:7][CH2:8][C:54]#[N:55])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

14

Reactant 13

HCID 702EthanolHCID 923Sodium ionHCID 1140TolueneHCID 5975CyanideHCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 205082-CyclohexylethanolHCID 24648Sulfuryl chlorideHCID 28123BorohydrideHCID 85570p-ToluenesulfonateHCID 3166272-CyclohexylacetaldehydeHCID 656472Oxido(dioxo)-lambda6-sulfaneHCID 2758875Trifluoromethanesulfonate

Product 1

HCID 107492423-cyclohexylpropanenitrile

Sources & evidence

ORD record
ord-11ef9acc813b4d76ba6644abc8c6c240
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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