1,4-Dioxane → 3-carboxy-3-methyl-butanoic acid N-butyl-N-(2'-cyanobiphenyl-4-ylmethyl)-amide
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([C:19]#[N:20])[cH:15][cH:16][cH:17][cH:18]2)[cH:11][cH:12]1.[CH3:21][C:22]1([CH3:29])[C:23](=[O:24])[O:25][C:26](=[O:28])[CH2:27]1.[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([C:19]#[N:20])[cH:15][cH:16][cH:17][cH:18]2)[cH:11][cH:12]1)[C:26]([CH2:27][C:22]([CH3:21])([C:23](=[O:24])[OH:25])[CH3:29])=[O:28]Participants
4
Sources & evidence
- ORD record
- ord-a36cdfe945ee4e41b71ed9bff92c0f82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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