Hexane → 3-(3,4-Diethylphenyl)-3-(3,4-dimethoxyphenyl)acrylonitrile
Reaction equation
[CH2:27]([CH3:28])[c:29]1[cH:30][c:31]([C:37]([c:38]2[cH:39][c:40]([O:46][CH3:47])[c:41]([O:44][CH3:45])[cH:42][cH:43]2)=[O:48])[cH:32][cH:33][c:34]1[CH2:35][CH3:36].[CH2:49]([O:50][P:51](=[O:52])([O:53][CH2:54][CH3:55])[CH2:57][C:58]#[N:59])[CH3:56].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6]([c:7]2[cH:8][cH:9][c:10]([O:11][CH3:12])[c:13]([O:14][CH3:15])[cH:16]2)=[CH:17][C:18]([O:19][CH3:20])=[O:21])[cH:22][cH:23][c:24]1[O:25][CH3:26].[CH3:60][Si:61]([CH3:62])([CH3:63])[N-:64][Si:65]([CH3:66])([CH3:67])[CH3:68].[CH3:70][CH2:71][CH2:72][CH2:73][CH2:74][CH3:75].[Li+:69]>>[CH2:27]([CH3:28])[c:29]1[cH:30][c:31]([C:37]([c:38]2[cH:39][c:40]([O:46][CH3:47])[c:41]([O:44][CH3:45])[cH:42][cH:43]2)=[CH:57][C:58]#[N:59])[cH:32][cH:33][c:34]1[CH2:35][CH3:36]Participants
7
Sources & evidence
- ORD record
- ord-e2f6cec2d80a4a8e9307b74394bdfdbd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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