Potassium Cation → 1-(2-Chloro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(2-hydroxy-2-methylpropyl)urea

HRID 281752Notes

Reaction equation

HRID 281752 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]([Cl:44])[c:32]([NH:35][C:36](=[O:37])[NH:38][CH2:39][C:40]([CH3:41])([CH3:42])[OH:43])[cH:33][cH:34]3)[CH2:25][CH2:26]2)[cH:45][cH:46]1)([CH3:5])([CH3:47])[CH3:48].[F-:49].[K+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]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]([Cl:44])[c:32]([NH:35][C:36](=[O:37])[NH:38][CH2:39][C:40]([CH3:41])([CH3:42])[OH:43])[cH:33][cH:34]3)[CH2:25][CH2:26]2)[cH:45][cH:46]1

Participants

5

Reactant 4

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 86638553HCID 86638553, compound

Product 1

HCID 445119161-(2-Chloro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)-3-(2-hydroxy-2-methylpropyl)urea

Sources & evidence

ORD record
ord-606ccef4016e4e4086f54af7f4699a4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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