Ethylene Glycol → 3,3-Ethylenedioxy-1-phenylcyclohexanecarbonitrile
Reaction equation
[O:1]=[C:2]1[CH2:3][C:4]([C:8]#[N:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:5][CH2:6][CH2:7]1.[OH:16][CH2:17][CH2:18][OH:19].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([O-:26])(=[O:27])=[O:28])[cH:29][cH:30]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[nH+:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[O:1]1[C:2]2([CH2:3][C:4]([C:8]#[N:9])([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[CH2:5][CH2:6][CH2:7]2)[O:16][CH2:17][CH2:18]1Participants
6
Sources & evidence
- ORD record
- ord-d69389f76271467eb09a96ed570fe736
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…