Dimethyl Sulfoxide → Methyl 4-(benzylthio)-2-chlorobenzoate

Reaction equation

[C:13](=[O:14])([O-:15])[O-:16].[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[SH:26].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][S:34](=[O:35])[CH3:36].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][c:10]([F:12])[cH:11]1.[Cs+:17].[Cs+:18]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][c:10]([S:26][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:11]1

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 7509Benzyl mercaptan

HCID 8857Ethyl Acetate

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 2763551Methyl 2-Chloro-4-fluorobenzoate

Product 1

HCID 22387852Methyl 4-(benzylthio)-2-chlorobenzoate

Sources & evidence

ORD record: ord-f88df253bb93497da9b5e26ec7d3eda4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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