Acetic Acid → 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
Reaction equation
[BH4-:6].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:38][C:39](=[O:40])[OH:41].[NH3:36].[Na+:7].[O:8]=[C:9]([CH:10]=[C:11]([CH2:12][c:13]1[c:14]([F:21])[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]1)[NH2:22])[N:23]1[CH2:24][c:25]2[n:26]([c:29]([C:32]([F:33])([F:34])[F:35])[n:30][n:31]2)[CH2:27][CH2:28]1.[OH2:37]>>[O:8]=[C:9]([CH2:10][CH:11]([CH2:12][c:13]1[c:14]([F:21])[cH:15][c:16]([F:20])[c:17]([F:19])[cH:18]1)[NH2:22])[N:23]1[CH2:24][c:25]2[n:26]([c:29]([C:32]([F:33])([F:34])[F:35])[n:30][n:31]2)[CH2:27][CH2:28]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a5a18187f98e4f9e821d34eeaf0d3f22
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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