Ethanol → Dimethyl-sulfamic acid 5-tert-butyl-4-mercapto-2-methyl-phenyl ester

HRID 1555240Notes

Reaction equation

HRID 1555240 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:19][C:20]#[N:21])[cH:7][c:8]([CH3:18])[c:9]([O:11][S:12]([N:13]([CH3:14])[CH3:15])(=[O:16])=[O:17])[cH:10]1.[CH3:36][CH2:37][OH:38].[K+:35].[P:30]([O-:31])([OH:32])([OH:33])=[O:34].[SH:22][CH2:23][CH:24]([CH:25]([CH2:26][SH:27])[OH:28])[OH:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([SH:19])[cH:7][c:8]([CH3:18])[c:9]([O:11][S:12]([N:13]([CH3:14])[CH3:15])(=[O:16])=[O:17])[cH:10]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 1003DihydrogenphosphateHCID 190011,4-Dimercapto-2,3-butanediolHCID 10496539Dimethyl-sulfamic acid 5-tert-butyl-2-methyl-4-thiocyanato-phenyl ester

Product 1

HCID 10662229Dimethyl-sulfamic acid 5-tert-butyl-4-mercapto-2-methyl-phenyl ester

Sources & evidence

ORD record
ord-503ecba2d9fc4538a9a3a341eb94933f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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