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Potassium Cation → 4-[[2-Bromo-4-(5-decylpyrimidin-2-yl)phenoxy]methyl]cyclohexan-1-ol

HRID 289729
Notes
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Reaction equation

HRID 289729 reaction equation
[Br:1][c:2]1[c:3]([OH:24])[cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:12][n:13]2)[cH:7]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51](=[O:52])[CH2:53][CH3:54].[K+:48].[K+:49].[O:25]([S:26]([c:27]1[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]1)(=[O:34])=[O:35])[CH2:36][CH:37]1[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]1.[OH2:55]>>[Br:1][c:2]1[c:3]([O:24][CH2:36][CH:37]2[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]2)[cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:12][n:13]2)[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 18960251[(1r,4r)-4-Hydroxycyclohexyl]methyl 4-methylbenzene-1-sulfonateHCID 1356242352-Bromo-4-(5-decyl-2-pyrimidinyl)phenol

Product 1

HCID 18960185
4-[[2-Bromo-4-(5-decylpyrimidin-2-yl)phenoxy]methyl]cyclohexan-1-ol

Sources & evidence

ORD record
ord-32ac76ca673c48e4a23476d2b417ffb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes