Potassium Cation → 1-(2-Fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(Pyrimidin-4-yl)urea

HRID 2138710Notes

Reaction equation

HRID 2138710 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][C:7]([C:8]([F:9])([F:10])[F:11])([C:12]([F:13])([F:14])[F:15])[c:16]1[cH:17][cH:18][c:19]([CH2:20][N:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[c:29]3[cH:30][c:31]([F:45])[c:32]([NH:35][C:36](=[O:37])[NH:38][c:39]4[n:40][cH:41][n:42][cH:43][cH:44]4)[cH:33][cH:34]3)[CH2:25][CH2:26]2)[cH:46][cH:47]1)([CH3:5])([CH3:48])[CH3:49].[F-:50].[K+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[OH:6][C:7]([C:8]([F:9])([F:10])[F:11])([C:12]([F:13])([F:14])[F:15])[c:16]1[cH:17][cH:18][c:19]([CH2:20][N:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[c:29]3[cH:30][c:31]([F:45])[c:32]([NH:35][C:36](=[O:37])[NH:38][c:39]4[n:40][cH:41][n:42][cH:43][cH:44]4)[cH:33][cH:34]3)[CH2:25][CH2:26]2)[cH:46][cH:47]1

Participants

5

Reactant 4

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 866385631-(4-(4-(4-(2-(Tert-butyldimethylsilyloxy)-1,1,1,3,3,3-hexafluoropropan-2-yl)benzyl)-piperazine-1-carbonyl)-2-fluorophenyl)-3-(pyrimidin-4-yl)urea

Product 1

HCID 445123941-(2-Fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(Pyrimidin-4-yl)urea

Sources & evidence

ORD record
ord-447be71e702a46e9bffbfc4fa207b6d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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