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Water → 4'-({4-Butyl-1-[3-(2-methoxyethoxy)phenyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

HRID 300003
Notes
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Reaction equation

HRID 300003 reaction equation
[Br:35][CH2:36][CH2:37][O:38][CH3:39].[C:40](=[O:41])([O-:42])[O-:43].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:34])[n:8](-[c:27]2[cH:28][c:29]([OH:33])[cH:30][cH:31][cH:32]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cs+:44].[Cs+:45].[OH2:57]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:34])[n:8](-[c:27]2[cH:28][c:29]([O:33][CH2:36][CH2:37][O:38][CH3:39])[cH:30][cH:31][cH:32]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 809722-Bromoethyl methyl etherHCID 104967Cesium cation2×HCID 57460522
4'-{[4-Butyl-1-(3-hydroxyphenyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 574605634'-({4-Butyl-1-[3-(2-methoxyethoxy)phenyl]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-d984f6de59b54063916646c17d180fe8
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