Toluene → 4-Methyl-2-[2-(5-methyl-3-phenyl-isoxazol-4-yl)-ethyl]-thiazole-5-carboxylic acid (tetrahydro-pyran-4-yl)-amide
Reaction equation
[CH3:12][c:13]1[n:14][c:15]([CH2:21][CH2:22][c:23]2[c:24](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:25][o:26][c:27]2[CH3:28])[s:16][c:17]1[C:18](=[O:19])[OH:20].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:8][Al:9]([CH3:10])[CH3:11].[NH2:1][CH:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1)[C:18]([c:17]1[c:13]([CH3:12])[n:14][c:15]([CH2:21][CH2:22][c:23]2[c:24](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:25][o:26][c:27]2[CH3:28])[s:16]1)=[O:19]Participants
6
Sources & evidence
- ORD record
- ord-457dda07934046cb8d320a40f77f0a6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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