Trifluoroacetic acid → 4-(5-((1,1-Dioxidohexahydro-5H-isothiazolo[2,3-A]pyrazin-5-YL)methyl)-2-((5-fluoro-6-methoxy-3-pyridinyl)amino)-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amine
Reaction equation
[O:1]=[S:2]1(=[O:54])[CH2:3][CH2:4][CH:5]2[N:6]1[CH2:7][CH2:8][N:9]([CH2:11][c:12]1[cH:13][c:14](-[c:28]3[n:29][c:30]([N:35]([CH2:36][c:37]4[cH:38][cH:39][c:40]([O:41][CH3:42])[cH:43][cH:44]4)[CH2:45][c:46]4[cH:47][cH:48][c:49]([O:50][CH3:51])[cH:52][cH:53]4)[n:31][c:32]([CH3:34])[n:33]3)[c:15]([NH:18][c:19]3[cH:20][n:21][c:22]([O:26][CH3:27])[c:23]([F:25])[cH:24]3)[n:16][cH:17]1)[CH2:10]2.[OH:55][C:56]([C:57]([F:58])([F:59])[F:60])=[O:61].[OH:62][S:63]([C:64]([F:65])([F:66])[F:67])(=[O:68])=[O:69]>>[O:1]=[S:2]1(=[O:54])[CH2:3][CH2:4][CH:5]2[N:6]1[CH2:7][CH2:8][N:9]([CH2:11][c:12]1[cH:13][c:14](-[c:28]3[n:29][c:30]([NH2:35])[n:31][c:32]([CH3:34])[n:33]3)[c:15]([NH:18][c:19]3[cH:20][n:21][c:22]([O:26][CH3:27])[c:23]([F:25])[cH:24]3)[n:16][cH:17]1)[CH2:10]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-907c771ca42341c2a79ff84f19df27c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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