Trifluoroacetic acid → N4-(benzoxazolin-2-on-5-yl)-N2-[2-(4-methylpiperazin-1-yl)pyridin-5-yl]-5-methylpyrimidine-2,4-diamine

HRID 111687Notes

Reaction equation

HRID 111687 reaction equation
[CH3:20][N:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][n:32]2)[CH2:25][CH2:26]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:19])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([nH:14][c:15](=[O:17])[o:16]3)[cH:18]2)[n:7]1.[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40]>>[c:2]1([NH:33][c:30]2[cH:29][cH:28][c:27]([N:24]3[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]3)[n:32][cH:31]2)[n:3][cH:4][c:5]([CH3:19])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([nH:14][c:15](=[O:17])[o:16]3)[cH:18]2)[n:7]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 27633906-(4-Methylpiperazin-1-yl)pyridin-3-amineHCID 580713875-(2-Chloro-5-methylpyrimidin-4-ylamino)benzo[d]oxazol-2(3H)-one

Product 1

HCID 66659601N4-(benzoxazolin-2-on-5-yl)-N2-[2-(4-methylpiperazin-1-yl)pyridin-5-yl]-5-methylpyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-6dfac315a98743538dd817f671aa9459
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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