Acetic Acid → 6-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]-2,2-dimethyl-4H-1,3-benzodioxin-4-one
Reaction equation
[C:21]([OH:22])(=[O:23])[CH3:24].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[NH2:25][CH2:26][c:27]1[cH:28][c:29]2[c:30]([cH:38][cH:39]1)[O:31][C:32]([CH3:36])([CH3:37])[O:33][C:34]2=[O:35]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:25][CH2:26][c:27]3[cH:28][c:29]4[c:30]([cH:38][cH:39]3)[O:31][C:32]([CH3:36])([CH3:37])[O:33][C:34]4=[O:35])[cH:19][cH:20]2)[cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-367c9cf86a6446f697fae7ca77143074
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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