Sodium ion → 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-:1].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:3][S:4](=[O:5])(=[O:6])[OH:7].[CH:64]([OH:65])([CH3:66])[CH3:67].[Na+:2].[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.[OH:36][CH:37]([CH2:38][c:39]1[cH:40][c:41]([F:42])[c:43]([F:44])[cH:45][c:46]1[F:47])[CH2:48][C:49]([N:50]1[CH2:51][CH2:52][n:53]2[c:54]([C:55]([F:56])([F:57])[F:58])[n:59][n:60][c:61]2[CH2:62]1)=[O:63]>>[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-5b459dcc74b1493786cc3796690e352a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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