Dimethylformamide → 3-tert-Butoxy-1-{4-[6-(2-fluoro-4-methanesulfonyl-phenoxy)-5-methyl-pyrimidin-4-yloxy]-piperidin-1-yl}-propan-1-one

HRID 135144Notes

Reaction equation

HRID 135144 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][CH2:32][CH2:33][C:34](=[O:35])[OH:36].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[F:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][n:8][c:9]([O:12][CH:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:10]2[CH3:11])[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:22]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][n:8][c:9]([O:12][CH:13]3[CH2:14][CH2:15][N:16]([C:34]([CH2:33][CH2:32][O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:35])[CH2:17][CH2:18]3)[c:10]2[CH3:11])[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:22]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 27609493-(tert-Butoxy)propionic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 672020214-(2-Fluoro-4-methanesulfonyl-phenoxy)-5-methyl-6-(piperidin-4-yloxy)-pyrimidine

Product 1

HCID 598566873-tert-Butoxy-1-{4-[6-(2-fluoro-4-methanesulfonyl-phenoxy)-5-methyl-pyrimidin-4-yloxy]-piperidin-1-yl}-propan-1-one

Sources & evidence

ORD record
ord-8ec138753b254bb79ece273448d0047c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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