Water → Methyl 3-[2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-3-oxopropanoate

HRID 1214357Notes

Reaction equation

HRID 1214357 reaction equation
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:32][C:33]([CH3:34])([CH3:35])[C:38]([O:36][C:37]([c:39]1[cH:40][c:41]([C:53]([F:54])([F:55])[F:56])[n:42][n:43]1-[c:44]1[cH:45][c:46]([C:51]#[N:52])[c:47]([F:50])[cH:48][cH:49]1)=[O:57])=[O:58].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:71][N:72]([P:73]([N:74]([CH3:75])[CH3:76])([N:77]([CH3:78])[CH3:79])=[O:80])[CH3:81].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[F:13][c:14]1[c:15]([CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:16][cH:17][c:18](-[n:20]2[c:21](=[O:26])[cH:22][cH:23][cH:24][cH:25]2)[cH:19]1.[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:70]>>[F:13][c:14]1[c:15]([CH:27]([C:28](=[O:29])[O:30][CH3:31])[C:37](=[O:36])[c:39]2[cH:40][c:41]([C:53]([F:54])([F:55])[F:56])[n:42][n:43]2-[c:44]2[cH:45][c:46]([C:51]#[N:52])[c:47]([F:50])[cH:48][cH:49]2)[cH:16][cH:17][c:18](-[n:20]2[c:21](=[O:26])[cH:22][cH:23][cH:24][cH:25]2)[cH:19]1

Participants

9

Reactant 8

HCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 12679HexamethylphosphoramideHCID 86216773methyl [2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]acetateHCID 873223192,2-Dimethylpropanoyl 2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylateHCID 178418339Butyllithium

Product 1

HCID 22240407Methyl 3-[2-(3-cyano-4-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-3-oxopropanoate

Sources & evidence

ORD record
ord-aeea9544f5084ef1bb806bbe9685924b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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