Ethanol → 4-[2-(4-Fluorophenyl)ethylamino]-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol
Reaction equation
[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][OH:56].[Cl+3:18]([O-:19])([O-:20])([O-:21])[O-:22].[F:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][CH2:30][NH2:31])[cH:32][cH:33]1.[Li+:23].[O:1]1[C:2]2([OH:17])[C:3]([CH3:15])([CH3:16])[O:4][c:5]3[cH:6][c:7]([N+:12](=[O:13])[O-:14])[cH:8][cH:9][c:10]3[CH:11]12.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH:34][C:35]([CH:36]=[CH:37][C:38](=[O:39])[OH:40])=[O:41]>>[CH:2]1([OH:17])[C:3]([CH3:15])([CH3:16])[O:4][c:5]2[cH:6][c:7]([N+:12](=[O:13])[O-:14])[cH:8][cH:9][c:10]2[CH:11]1[NH:31][CH2:30][CH2:29][c:28]1[cH:27][cH:26][c:25]([F:24])[cH:33][cH:32]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-ec4aed45e82d4ae59e85eda49130bf92
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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