Ethanol → 2-Amino-5-tert-butyl-benzothiazole-6-thiol

HRID 184997Notes

Reaction equation

HRID 184997 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:15][C:16]#[N:17])[cH:7][c:8]2[c:9]([n:10][c:11]([NH2:13])[s:12]2)[cH:14]1.[CH3:31][CH2:32][OH:33].[O-:26][P:27](=[O:28])([O-:29])[O-:30].[SH:18][CH2:19][CH:20]([CH:21]([CH2:22][SH:23])[OH:24])[OH:25]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([SH:15])[cH:7][c:8]2[c:9]([n:10][c:11]([NH2:13])[s:12]2)[cH:14]1

Participants

5

Reactant 4

HCID 702EthanolHCID 1061PhosphateHCID 190011,4-Dimercapto-2,3-butanediolHCID 154738385-Tert-butyl-6-thiocyanato-benzothiazol-2-yl-amine

Product 1

HCID 225728932-Amino-5-tert-butyl-benzothiazole-6-thiol

Sources & evidence

ORD record
ord-7b42eabc611c4a2f809ef922548dad8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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