Acetonitrile → 1-[(3-methoxy-5-methylphenyl)sulfanylmethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

HRID 1546905

Reaction equation

HRID 1546905 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:11][S:12]([O:13][CH2:16][CH:17]1[C:18]([CH3:30])([OH:31])[CH2:19][CH2:20][CH:21]2[C:22]([CH3:28])([CH3:29])[CH2:23][CH2:24][CH2:25][C:26]12[CH3:27])(=[O:14])=[O:15].[CH3:1][O:2][c:3]1[cH:4][c:5]([SH:10])[cH:6][c:7]([CH3:9])[cH:8]1.[CH3:38][C:39]#[N:40].[Cs+:36].[Cs+:37]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([S:10][CH2:16][CH:17]2[C:18]([CH3:30])([OH:31])[CH2:19][CH2:20][CH:21]3[C:22]([CH3:28])([CH3:29])[CH2:23][CH2:24][CH2:25][C:26]23[CH3:27])[cH:6][c:7]([CH3:9])[cH:8]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 225047193-Methoxy-5-methylbenzenethiolHCID 76744348(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl methanesulfonate

Product 1

HCID 767443751-[(3-methoxy-5-methylphenyl)sulfanylmethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

Sources & evidence

ORD record
ord-678656578879468ebe3bd592fba38d1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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