Acetone → N-(cyanomethyl)-2-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

HRID 683479

Reaction equation

HRID 683479 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]1[CH:8]([CH2:13][Br:14])[CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:21][S:22][c:23]1[cH:24][cH:25][c:26]([SH:29])[cH:27][cH:28]1.[CH3:30][C:31](=[O:32])[CH3:33].[Cs+:19].[Cs+:20]>>[C:1](#[N:2])[CH2:3][NH:4][C:5](=[O:6])[CH:7]1[CH:8]([CH2:13][S:29][c:26]2[cH:25][cH:24][c:23]([S:22][CH3:21])[cH:28][cH:27]2)[CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1368964-(Methylsulfanyl)thiophenolHCID 86596153N-cyanomethyl 2-bromomethylcyclohexanecarboxamide

Product 1

HCID 59711747N-(cyanomethyl)-2-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

Sources & evidence

ORD record
ord-81ecdbf9297548bb9b09513933a5810f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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