Acetic Acid → 6-({4-[(4-chlorophenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one
Reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:45][C:46](=[O:47])[OH:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH:16]=[N:17][c:18]3[cH:19][c:20]4[c:21]([cH:29][cH:30]3)[O:22][C:23]([CH3:27])([CH3:28])[O:24][C:25]4=[O:26])[cH:14][cH:15]2)[cH:6][cH:7]1.[Na+:44].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][NH:17][c:18]3[cH:19][c:20]4[c:21]([cH:29][cH:30]3)[O:22][C:23]([CH3:27])([CH3:28])[O:24][C:25]4=[O:26])[cH:14][cH:15]2)[cH:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-be68807c75af489f85862b70a3a91531
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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