p-Anisoyl chloride → N-(4-chloro-5-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)-2-nitrophenyl)-4-methoxybenzamide
Reaction equation
[CH2:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[Cl:42])[cH:43][cH:44]1.[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[NH2:1][c:2]1[c:3]([N+:31](=[O:32])[O-:33])[cH:4][c:5]([Cl:30])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17](-[c:22]4[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]4)[n:18][o:19][c:20]3[CH3:21])[CH2:12][CH2:13]2)[cH:7]1>>[NH:1]([c:2]1[c:3]([N+:31](=[O:32])[O-:33])[cH:4][c:5]([Cl:30])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17](-[c:22]4[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]4)[n:18][o:19][c:20]3[CH3:21])[CH2:12][CH2:13]2)[cH:7]1)[C:40]([c:39]1[cH:38][cH:37][c:36]([O:35][CH3:34])[cH:44][cH:43]1)=[O:41]Participants
5
Sources & evidence
- ORD record
- ord-f18e51ffa07c4cb9954d3b05d09ea17d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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