Acetic Acid → 2-(2-cyclohexylethyl)-7-hydroxy-6-nitro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH:1]1([CH2:7][CH2:8][c:9]2[n:10][n:11]3[c:12]([n:13][c:14]([OH:18])[cH:15][c:16]3=[O:17])[s:19]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH:20][N+:21]([O-:22])=[O:23]>>[CH:1]1([CH2:7][CH2:8][c:9]2[n:10][n:11]3[c:12]([n:13][c:14]([OH:18])[c:15]([N+:21](=[O:20])[O-:22])[c:16]3=[O:17])[s:19]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-036c5bf0dd6a4b1c98f22f9df23b4014
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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