Toluene → 3-Ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile
Reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]([CH3:12])[c:10]1[OH:11].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH:32]1([CH2:33][OH:34])[CH2:35][O:36]1.[O:37]=[C:38]([O:39][CH2:40][CH3:41])[N:42]=[N:43][C:44]([O:45][CH2:46][CH3:47])=[O:48].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]([CH3:12])[c:10]1[O:11][CH2:33][CH:32]1[CH2:35][O:36]1Participants
7
Sources & evidence
- ORD record
- ord-922402d1087d4e7ab0b311df3759904d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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