Ammonia → 7-amino-2-(2-cyclohexylethyl)-6-nitro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Reaction equation
[CH3:24][CH2:25][OH:26].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:11])[c:7]1[N+:8](=[O:9])[O-:10])[n:12][c:13]([CH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[s:14]2.[NH3:23]>>[c:2]1([NH2:23])[n:3][c:4]2[n:5]([c:6](=[O:11])[c:7]1[N+:8](=[O:9])[O-:10])[n:12][c:13]([CH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[s:14]2Participants
4
Sources & evidence
- ORD record
- ord-716c7603425f417ca6936d08bd78638f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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