Acetate → ethyl 2-[(cis-3-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-2-methyl-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutyl)oxy]propanoate

HRID 691158

Reaction equation

HRID 691158 reaction equation
[C:45]([O-:46])(=[O:47])[CH3:48].[C:50]([O-:51])(=[O:52])[CH3:53].[CH2:54]([Cl:55])[Cl:56].[F:1][c:2]1[cH:3][c:4](-[c:28]2[c:29]([C:34]#[N:35])[cH:30][cH:31][cH:32][cH:33]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:27])[n:11]([CH:22]2[CH2:23][CH:24]([OH:26])[CH2:25]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][c:19]([CH3:21])[n:20]2.[N+:36](=[N-:37])=[C:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH3:44].[Rh+2:49]>>[F:1][c:2]1[cH:3][c:4](-[c:28]2[c:29]([C:34]#[N:35])[cH:30][cH:31][cH:32][cH:33]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:27])[n:11]([CH:22]2[CH2:23][CH:24]([O:26][CH:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH3:44])[CH2:25]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][c:19]([CH3:21])[n:20]2

Participants

6

Reactant 5

HCID 175Acetate2×HCID 6344DichloromethaneHCID 185497Rhodium, ion(Rh2)HCID 534409222-Diazonio-1-ethoxyprop-1-en-1-olateHCID 670089153'-Fluoro-4'-{[4-(cis-3-hydroxycyclobutyl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 67009209ethyl 2-[(cis-3-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-2-methyl-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutyl)oxy]propanoate

Sources & evidence

ORD record
ord-b4fe9ad358284799acd40f59e3d97b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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