Dimethyl Sulfoxide → 7-[3-(Dimethylamino)pyrrolidin-1-yl]-2-(1-methoxy-2-methylpropan-2-yl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Reaction equation
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][N:34]([CH:35]1[CH2:36][NH:37][CH2:38][CH2:39]1)[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][S:48](=[O:49])[CH3:50].[F:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:4]([CH3:19])[c:5]([C:17]#[N:18])[c:6]2[n:7][c:8]([C:11]([CH2:12][O:13][CH3:14])([CH3:15])[CH3:16])[o:9][c:10]12.[OH2:51]>>[c:2]1([N:37]2[CH2:36][CH:35]([N:34]([CH3:33])[CH3:40])[CH2:39][CH2:38]2)[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:4]([CH3:19])[c:5]([C:17]#[N:18])[c:6]2[n:7][c:8]([C:11]([CH2:12][O:13][CH3:14])([CH3:15])[CH3:16])[o:9][c:10]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-205822a1ff2f4054b6a08cce9218a3d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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