Ethyl Acetate → 2,3-Diamino-5-(5-methyl-3-oxo-4-pyridin-2-ylmethyl-cyclohexa-1,5-dienyl)-benzoic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:28])[c:6]([N+:25]([O-:26])=[O:27])[cH:7][c:8]([C:10]2=[CH:11][C:12](=[O:24])[CH:13]([CH2:17][c:18]3[n:19][cH:20][cH:21][cH:22][cH:23]3)[C:14]([CH3:16])=[CH:15]2)[cH:9]1)=[O:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:28])[c:6]([NH2:25])[cH:7][c:8]([C:10]2=[CH:11][C:12](=[O:24])[CH:13]([CH2:17][c:18]3[n:19][cH:20][cH:21][cH:22][cH:23]3)[C:14]([CH3:16])=[CH:15]2)[cH:9]1)=[O:29]Participants
3
Sources & evidence
- ORD record
- ord-b60528f3f8dd40babf57882e803555c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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