Acetonitrile → Cyclohexyl isothiocyanate

HRID 2315605Notes

Reaction equation

HRID 2315605 reaction equation
[CH2:18]([N:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[CH3:24].[CH3:35][C:36]#[N:37].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[CH:25]1([NH:31][C:32]([SH:33])=[S:34])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[NH2:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[S:15]=[C:16]=[S:17]>>[CH:25]1([N:31]=[C:32]=[S:33])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6348Carbon DisulfideHCID 7965CyclohexylamineHCID 8471Triethylamine2×HCID 3032687Carbamodithioic acid, cyclohexyl-

Product 1

HCID 14289Cyclohexyl isothiocyanate

Sources & evidence

ORD record
ord-2db8caac491c4fadab8f9ae6f247e3be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…