Acetate → 4'-[(4-Butyl-2-methyl-6-oxo-1-phenyl-1,6-dihydropyrimidin-5-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile

HRID 86622

Reaction equation

HRID 86622 reaction equation
[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:28])[nH:8][c:9](=[O:27])[c:10]1[CH2:11][c:12]1[c:13]([F:26])[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.[CH2:51]([Cl:52])[Cl:53].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu+2:64].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:28])[n:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:9](=[O:27])[c:10]1[CH2:11][c:12]1[c:13]([F:26])[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

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 66827Phenylboronic AcidHCID 1360269914'-[(4-Butyl-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile

Product 1

HCID 574605374'-[(4-Butyl-2-methyl-6-oxo-1-phenyl-1,6-dihydropyrimidin-5-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-59b7170b35004c77a94688719f4c7478
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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