Hydrochloric Acid → 3-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-benzoic acid ethyl ester

HRID 1232018Notes

Reaction equation

HRID 1232018 reaction equation
[CH2:58]([CH3:59])[O:60][C:61]([c:62]1[cH:63][c:64]([CH:68]2[CH2:69][CH2:70][NH:71][CH2:72][CH2:73]2)[cH:65][cH:66][cH:67]1)=[O:74].[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:9])[OH:10].[CH3:24][NH3+:25].[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[ClH:57].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:10])[N:71]1[CH2:70][CH2:69][CH:68]([c:64]2[cH:63][c:62]([C:61]([O:60][CH2:58][CH3:59])=[O:74])[cH:67][cH:66][cH:65]2)[CH2:73][CH2:72]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886Hexafluorophosphate2×HCID 81531DiisopropylethylamineHCID 5961182-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acidHCID 644041MethylammoniumHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57880398Ethyl 3-(piperidin-4-yl)benzoate

Product 1

HCID 669733443-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-2d28438a5f524844bf35167dc944f657
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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