1,4-Dioxane → 5-(4-Cyano-imidazol-1-yl)-2-nitro-4-trifluoromethyl-benzoic acid methyl ester
Reaction equation
[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:1][O:2][C:3]([c:4]1[c:5]([N+:15](=[O:16])[O-:17])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8]([F:10])[cH:9]1)=[O:18].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[nH:19]1[cH:20][n:21][c:22]([C:24]#[N:25])[cH:23]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N+:15](=[O:16])[O-:17])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8](-[n:19]2[cH:20][n:21][c:22]([C:24]#[N:25])[cH:23]2)[cH:9]1)=[O:18]Participants
5
Sources & evidence
- ORD record
- ord-b270e8645c7c4ba4957eb3ebb9f7fb81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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