Ethanol → 4-{6-[3-(4-tert-Butyl-benzoylamino)-2-methyl-phenyl]-4-methyl-3-oxo-3,4-dihydro-pyrazin-2-ylamino}-benzoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][c:14](-[c:20]3[c:21]([CH3:39])[c:22]([NH:26][C:27]([c:28]4[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]4)=[O:38])[cH:23][cH:24][cH:25]3)[cH:15][n:16]([CH3:19])[c:17]2=[O:18])[cH:9][cH:10]1)=[O:40].[CH3:43][CH2:44][OH:45].[Na+:42].[OH-:41]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][c:14](-[c:20]3[c:21]([CH3:39])[c:22]([NH:26][C:27]([c:28]4[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]4)=[O:38])[cH:23][cH:24][cH:25]3)[cH:15][n:16]([CH3:19])[c:17]2=[O:18])[cH:9][cH:10]1)[OH:40]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-64aca6897a6c4c65b1151efbdd59aa9e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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