Dimethylformamide → [5-Methyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

HRID 153403Notes

Reaction equation

HRID 153403 reaction equation
[CH3:1][c:2]1[c:3]([C:24](=[O:25])[OH:26])[c:4](-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([O:13][C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12]1.[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[N:60]1([CH:65]2[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]2)[CH2:61][CH2:62][CH2:63][CH2:64]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][c:2]1[c:3]([C:24](=[O:26])[N:68]2[CH2:67][CH2:66][CH:65]([N:60]3[CH2:61][CH2:62][CH2:63][CH2:64]3)[CH2:70][CH2:69]2)[c:4](-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([O:13][C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 787034-(1-Pyrrolidinyl)piperidineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673151905-Methyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid

Product 1

HCID 57555089[5-Methyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazol-4-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-ac9a20346a04406c8589ee18a16e021f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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