Ethanol → 2-Amino-7-isopropyl-4-methyl-benzothiazole-6-thiol

HRID 674465

Reaction equation

HRID 674465 reaction equation
[CH3:31][CH2:32][OH:33].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([S:15][C:16]#[N:17])[cH:6][c:7]([CH3:14])[c:8]2[n:9][c:10]([NH2:13])[s:11][c:12]12.[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]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([SH:15])[cH:6][c:7]([CH3:14])[c:8]2[n:9][c:10]([NH2:13])[s:11][c:12]12

Participants

5

Reactant 4

HCID 702EthanolHCID 1061PhosphateHCID 190011,4-Dimercapto-2,3-butanediolHCID 154738397-Isopropyl-4-methyl-6-thiocyanato-benzothiazol-2-yl-amine

Product 1

HCID 225729072-Amino-7-isopropyl-4-methyl-benzothiazole-6-thiol

Sources & evidence

ORD record
ord-1c21130d003b4f36be6a93f93615b25e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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