Acetic Acid → 6-Ethyl-9-(4-hydroxyphenyl)-2-trifluoromethylpurine
Reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]2[n:5][cH:6][n:7](-[c:16]3[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:20][cH:21]3)[c:8]2[n:9][c:10]([C:12]([F:13])([F:14])[F:15])[n:11]1.[CH3:30][OH:31].[CH3:35][C:36](=[O:37])[OH:38].[H:32][H:33].[Pd:34]>>[CH2:1]([CH3:2])[c:3]1[c:4]2[n:5][cH:6][n:7](-[c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[c:8]2[n:9][c:10]([C:12]([F:13])([F:14])[F:15])[n:11]1Participants
6
Sources & evidence
- ORD record
- ord-f7403255709b4aa78c8529a04d6d9413
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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