Toluene → 2-Cyclopropyl-7-(3-hydroxycyclopentyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Reaction equation
[CH2:41]([SnH:42]([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:27]#[N:28])[c:10]([CH3:26])[c:11](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:12]3[CH:13]2[CH2:14][CH:15]([OH:19])[CH:16]([I:18])[CH2:17]2)[CH2:2][CH2:3]1.[N:29]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])=[N:35][C:36]([CH3:37])([CH3:38])[C:39]#[N:40]>>[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:27]#[N:28])[c:10]([CH3:26])[c:11](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:12]3[CH:13]2[CH2:14][CH:15]([OH:19])[CH2:16][CH2:17]2)[CH2:2][CH2:3]1Participants
5
Sources & evidence
- ORD record
- ord-6ac5846d0aa5461eb16c8cebfca5ba9b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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