Acetate → 3'-Fluoro-4'-({4-[4-(1-methylethoxy)phenyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

HRID 104137

Reaction equation

HRID 104137 reaction equation
[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:30][CH:31]([CH3:32])[O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]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].[F:1][c:2]1[cH:3][c:4](-[c:22]2[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:21])[nH:11][c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[F:1][c:2]1[cH:3][c:4](-[c:22]2[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:21])[n:11](-[c:37]2[cH:36][cH:35][c:34]([O:33][CH:31]([CH3:30])[CH3:32])[cH:39][cH:38]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 36987264-Isopropoxybenzeneboronic acidHCID 1363371393'-Fluoro-4'-[(5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 670086983'-Fluoro-4'-({4-[4-(1-methylethoxy)phenyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-15b62fbed2e441f69b6cf91433eae328
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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