Isopropanol → 1-(2-Nitroanilino)-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propan-2-ol
Reaction equation
[CH3:33][C:34]#[N:35].[CH:36]([OH:37])([CH3:38])[CH3:39].[CH:40]([Cl:41])([Cl:42])[Cl:43].[Cl:16][c:17]1[c:18]([N+:30](=[O:31])[O-:32])[cH:19][c:20]([S:23](=[O:24])(=[O:25])[C:26]([F:27])([F:28])[F:29])[cH:21][cH:22]1.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:6][CH2:7][CH:8]([CH2:9][OH:10])[OH:11])[cH:12][cH:13][cH:14][cH:15]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:6][CH2:7][CH:8]([CH2:9][O:10][c:17]2[c:18]([N+:30](=[O:31])[O-:32])[cH:19][c:20]([S:23](=[O:24])(=[O:25])[C:26]([F:27])([F:28])[F:29])[cH:21][cH:22]2)[OH:11])[cH:12][cH:13][cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-4e6f5f96b70742789d23d9192e1d78d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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