Trifluoroacetic acid → 6-[2-[(5-Fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(2-methyl-4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine

HRID 1570685Notes

Reaction equation

HRID 1570685 reaction equation
[F:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:43]([CH3:44])[N:45]3[CH:46]([CH3:55])[CH2:47][N:48]([S:51](=[O:52])(=[O:53])[CH3:54])[CH2:49][CH2:50]3)[cH:15][c:16]2-[c:17]2[cH:18][c:19]([N:24]([CH2:25][c:26]3[cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32][cH:33]3)[CH2:34][c:35]3[cH:36][cH:37][c:38]([O:39][CH3:40])[cH:41][cH:42]3)[n:20][c:21]([CH3:23])[n:22]2)[cH:5][n:6][c:7]1[O:8][CH3:9].[F:64][C:65]([F:66])([F:67])[C:68]([OH:69])=[O:70].[OH:56][S:57]([C:58]([F:59])([F:60])[F:61])(=[O:62])=[O:63]>>[F:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:43]([CH3:44])[N:45]3[CH:46]([CH3:55])[CH2:47][N:48]([S:51](=[O:52])(=[O:53])[CH3:54])[CH2:49][CH2:50]3)[cH:15][c:16]2-[c:17]2[cH:18][c:19]([NH2:24])[n:20][c:21]([CH3:23])[n:22]2)[cH:5][n:6][c:7]1[O:8][CH3:9]

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 62406Trifluoromethanesulfonic acidHCID 178491059HCID 178491059, compound

Product 1

HCID 723233926-[2-[(5-Fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(2-methyl-4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine

Sources & evidence

ORD record
ord-46e692a899404d29ae1550fcf3a9ff4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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