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

HRID 134703Notes

Reaction equation

HRID 134703 reaction equation
[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:41])[c:12]([CH2:15][c:16]3[c:17]([CH2:38][CH2:39][CH3:40])[n:18][c:19]([CH3:37])[n:20](-[c:23]4[cH:24][cH:25][c:26]([O:27][C:28]([C:29](=[O:30])[O:31][CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]4)[c:21]3=[O:22])[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:48]>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:41])[c:12]([CH2:15][c:16]3[c:17]([CH2:38][CH2:39][CH3:40])[n:18][c:19]([CH3:37])[n:20](-[c:23]4[cH:24][cH:25][c:26]([O:27][C:28]([CH2:29][OH:30])([CH3:33])[CH3:34])[cH:35][cH:36]4)[c:21]3=[O:22])[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

5

Reactant 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 57460805methyl 2-{4-[5-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-2-methyl-6-oxo-4-propylpyrimidin-1(6H)-yl]phenoxy)-2-methylpropanoate

Product 1

HCID 574608063'-Fluoro-4'-({1-[4-(2-hydroxy-1,1-dimethylethoxy)phenyl]-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-6cee922712314b94aca2b70d16723c62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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