1,4-Dioxane → 5-(4-Trifluoromethyl-imidazol-1-yl)-2-nitro-4-trifluoromethyl-benzoic acid methyl ester
Reaction equation
[CH2:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH:33]([CH3:34])[CH3:35])[CH3:36].[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].[F:19][C:20]([c:21]1[n:22][cH:23][nH:24][cH:25]1)([F:26])[F:27].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]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:24]2[cH:23][n:22][c:21]([C:20]([F:19])([F:26])[F:27])[cH:25]2)[cH:9]1)=[O:18]Participants
5
Sources & evidence
- ORD record
- ord-4949225b18ca41fb9ce8e909a88e10c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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