Water → 4'-({1-[4-(Cyclobutyloxy)-3-fluorophenyl]-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

HRID 91822

Reaction equation

HRID 91822 reaction equation
[Br:35][CH:36]1[CH2:37][CH2:38][CH2:39]1.[C:40](=[O:41])([O-:42])[O-:43].[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].[F:1][c:2]1[cH:3][c:4](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:5][cH:6][c:7]1[OH:8].[OH2:57]>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:5][cH:6][c:7]1[O:8][CH:36]1[CH2:37][CH2:38][CH2:39]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 78110BromocyclobutaneHCID 104967Cesium cation2×HCID 574606914'-{[1-(3-Fluoro-4-hydroxyphenyl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 574607814'-({1-[4-(Cyclobutyloxy)-3-fluorophenyl]-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-6b782e29dbd4439297f828a2e5901102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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