Acetate → ethyl [(trans-4-{6-[(2'-cyano-2-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetate

HRID 115345

Reaction equation

HRID 115345 reaction equation
[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[C:68]([O-:69])(=[O:70])[CH3:71].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[F:1][c:2]1[c:3](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:4][cH:5][c:6]([CH2:8][c:9]2[c:10](=[O:28])[n:11]([CH:21]3[CH2:22][CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]3)[c:12]3[n:13]([c:14]2[CH2:15][CH2:16][CH3:17])[n:18][cH:19][cH:20]3)[cH:7]1.[N+:37](=[N-:38])=[CH:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[OH2:51].[Rh+3:63]>>[F:1][c:2]1[c:3](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:4][cH:5][c:6]([CH2:8][c:9]2[c:10](=[O:28])[n:11]([CH:21]3[CH2:22][CH2:23][CH:24]([O:27][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:25][CH2:26]3)[c:12]3[n:13]([c:14]2[CH2:15][CH2:16][CH3:17])[n:18][cH:19][cH:20]3)[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate3×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 12192Ethyl diazoacetateHCID 167511Rhodium(3+)HCID 670091682'-Fluoro-4'-{[4-(trans-4-hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 86644068ethyl [(trans-4-{6-[(2'-cyano-2-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetate

Sources & evidence

ORD record
ord-76a93aae78984c31abdfe97fff5e0a16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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