Ethanol → 4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)bicyclo[2.2.2]octane-1-carboxylic acid
Reaction equation
[CH3:34][CH2:35][OH:36].[CH3:37][OH:38].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:11]1[N:10]=[C:9]([c:12]1[cH:13][cH:14][c:15]([C:18]34[CH2:19][CH2:20][C:21]([C:26](=[O:27])[O:28][CH3:29])([CH2:22][CH2:23]3)[CH2:24][CH2:25]4)[cH:16][cH:17]1)[C:8]([CH3:30])([CH3:31])[O:7]2.[Na+:33].[OH-:32]>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:11]1[N:10]=[C:9]([c:12]1[cH:13][cH:14][c:15]([C:18]34[CH2:19][CH2:20][C:21]([C:26](=[O:27])[OH:28])([CH2:22][CH2:23]3)[CH2:24][CH2:25]4)[cH:16][cH:17]1)[C:8]([CH3:30])([CH3:31])[O:7]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-b844d36a11b7470cbce56de4a43f22fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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