Hydrochloric Acid → 2-tert-Butyl-5-methyl-7-(3-methylaminoazetidin-1-yl)-6-phenyl-1,3-benzoxazole-4-carbonitrile
Reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[o:27][c:28]2[c:29]([n:30]1)[c:31]([C:43]#[N:44])[c:32]([CH3:42])[c:33](-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:34]2[F:35].[C:46](=[O:47])([OH:48])[O-:49].[CH3:16][NH:17][CH:18]1[CH2:19][NH:20][CH2:21]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:51][S:52](=[O:53])[CH3:54].[ClH:15].[F:8][C:9]([F:10])([F:11])[C:12]([OH:13])=[O:14].[Na+:50].[OH2:45]>>[CH3:16][NH:17][CH:18]1[CH2:19][N:20]([c:34]2[c:28]3[o:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[n:30][c:29]3[c:31]([C:43]#[N:44])[c:32]([CH3:42])[c:33]2-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:21]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-c17bbe3551a74a2cb03ad0e4a552b211
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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