Toluene → N4-{[3-(4-fluorophenyl)isoxazol-5-yl]methyl}-N2,N2-bis(4-methoxybenzyl)-5,6-dimethyl-3-nitropyridin-2,4-diamine
Reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][NH:41][CH2:42][c:43]2[cH:44][cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]2)[cH:51][cH:52]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:1][c:2]1[n:3][c:4]([CH3:26])[c:5]([CH3:25])[c:6]([NH:11][CH2:12][c:13]2[cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[n:16][o:17]2)[c:7]1[N+:8](=[O:9])[O-:10]>>[c:2]1([N:41]([CH2:40][c:39]2[cH:38][cH:37][c:36]([O:35][CH3:34])[cH:52][cH:51]2)[CH2:42][c:43]2[cH:44][cH:45][c:46]([O:49][CH3:50])[cH:47][cH:48]2)[n:3][c:4]([CH3:26])[c:5]([CH3:25])[c:6]([NH:11][CH2:12][c:13]2[cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[n:16][o:17]2)[c:7]1[N+:8](=[O:9])[O-:10]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-f87e5574f05340e4ad787a0a03a432ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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