Acetonitrile → Methyl 4-chloro-3-cyclopropylmethylthio-2-methylbenzoate

HRID 1138982Notes

Reaction equation

HRID 1138982 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:25][C:26]#[N:27].[CH:20]1([CH2:23][Br:24])[CH2:21][CH2:22]1.[Cl:7][c:8]1[c:9]([SH:19])[c:10]([CH3:18])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1.[Cs+:5].[Cs+:6]>>[Cl:7][c:8]1[c:9]([S:19][CH2:23][CH:20]2[CH2:21][CH2:22]2)[c:10]([CH3:18])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 81503BromomethylcyclopropaneHCID 104967Cesium cation2×HCID 67158973Methyl 4-chloro-3-mercapto-2-methylbenzoate

Product 1

HCID 67158113Methyl 4-chloro-3-cyclopropylmethylthio-2-methylbenzoate

Sources & evidence

ORD record
ord-f576dbf002004e2297f52fefae0d1706
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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