Toluene → 4-[1-(3,4-Dimethoxyphenoxy)-3-butenyl]benzonitrile
Reaction equation
[CH2:25]([P:26]([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:14][O:15][c:16]1[cH:17][c:18]([OH:24])[cH:19][cH:20][c:21]1[O:22][CH3:23].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[N:38]([C:39]([N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1)=[O:46])=[N:47][C:48]([N:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1)=[O:55].[OH:1][CH:2]([CH2:3][CH:4]=[CH2:5])[c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1>>[O:1]([CH:2]([CH2:3][CH:4]=[CH2:5])[c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1)[c:18]1[cH:17][c:16]([O:15][CH3:14])[c:21]([O:22][CH3:23])[cH:20][cH:19]1Participants
6
Sources & evidence
- ORD record
- ord-a6ee8eec538b4359a34076b0d51e4286
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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