Ethanol → 3-[4-(2-Methyloctan-2-yl)-2-phenylmethoxyphenyl]-5-oxocyclohexane-1-carbonitrile
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:24]2[CH2:25][CH:26]=[CH:27][C:28](=[O:30])[CH2:29]2)[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1.[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:41][CH2:42][OH:43].[K:37][C:38]#[N:39].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:24]2[CH2:25][CH:26]([C:38]#[N:39])[CH2:27][C:28](=[O:30])[CH2:29]2)[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-b6e9191eb8074f04b10f984947e0bc60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…