Potassium Cation → 1-(1-(2-(4-(4-Acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperidin-4-yl)urea

HRID 808987Notes

Reaction equation

HRID 808987 reaction equation
[C-:31]#[N:32].[CH3:35][C:36]#[N:37].[K+:33].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH:15][c:16]3[cH:17][cH:18][c:19]([N:22]4[CH2:23][CH2:24][N:25]([C:28]([CH3:29])=[O:30])[CH2:26][CH2:27]4)[cH:20][cH:21]3)[n:11][cH:12][c:13]2[F:14])[CH2:6][CH2:7]1.[OH2:34]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH:15][c:16]3[cH:17][cH:18][c:19]([N:22]4[CH2:23][CH2:24][N:25]([C:28]([CH3:29])=[O:30])[CH2:26][CH2:27]4)[cH:20][cH:21]3)[n:11][cH:12][c:13]2[F:14])[CH2:6][CH2:7]1)[C:31]([NH2:32])=[O:34]

Participants

6

Reactant 5

HCID 813Potassium CationHCID 962WaterHCID 5975CyanideHCID 6342AcetonitrileHCID 444671681-(4-(4-(4-(4-Aminopiperidin-1-yl)-5-fluoropyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone

Product 1

HCID 444671691-(1-(2-(4-(4-Acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperidin-4-yl)urea

Sources & evidence

ORD record
ord-e01b916ea85b4dd2b5f5d2eba9b82166
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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