Acetate → 4'-{[2-(Dimethylamino)-1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

HRID 2310476Notes

Reaction equation

HRID 2310476 reaction equation
[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:1][N:2]([c:3]1[nH:4][c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1)[CH3:28].[CH3:29][C:30]1([CH3:42])[O:31][c:32]2[c:33]([cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]2)[CH2:34]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:56][CH2:57][Cl:58].[Cu+2:69].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[CH3:1][N:2]([c:3]1[n:4](-[c:36]2[cH:35][c:33]3[c:32]([cH:38][cH:37]2)[O:31][C:30]([CH3:29])([CH3:42])[CH2:34]3)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1)[CH3:28]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 23005350(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)boronic acidHCID 1360267224'-{[2-(Dimethylamino)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 574600404'-{[2-(Dimethylamino)-1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-abb6043c43974d4eb8d0db380076e3c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…