Ethylene Glycol → 8-(2-Fluoro-3,5-dimethoxy-phenyl)quinoxaline-5-carboxylic acid
Reaction equation
[CH3:31][CH2:32][O:33][CH2:34][CH3:35].[F:3][c:4]1[c:5](-[c:14]2[cH:15][cH:16][c:17]([C:24]#[N:25])[c:18]3[n:19][cH:20][cH:21][n:22][c:23]23)[cH:6][c:7]([O:12][CH3:13])[cH:8][c:9]1[O:10][CH3:11].[K+:2].[OH-:1].[OH2:26].[OH2:36].[OH:27][CH2:28][CH2:29][OH:30]>>[O:1]=[C:24]([c:17]1[cH:16][cH:15][c:14](-[c:5]2[c:4]([F:3])[c:9]([O:10][CH3:11])[cH:8][c:7]([O:12][CH3:13])[cH:6]2)[c:23]2[c:18]1[n:19][cH:20][cH:21][n:22]2)[OH:26]Participants
7
Sources & evidence
- ORD record
- ord-094107cdaa2e499eaf949ed8b5e7d8bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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