Water → 1-(3-Phenyl-propyl)-piperidine-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

HRID 2143184Notes

Reaction equation

HRID 2143184 reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[NH2:56][CH2:57][C:58](=[O:59])[N:60]1[CH2:61][CH2:62][N:63]([C:66]([c:67]2[c:68]([C:73]([F:74])([F:75])[F:76])[cH:69][cH:70][cH:71][cH:72]2)=[O:77])[CH2:64][CH2:65]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:83].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1([CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH2:21][CH:22]([C:25](=[O:26])[OH:27])[CH2:23][CH2:24]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH2:21][CH:22]([C:25](=[O:27])[NH:56][CH2:57][C:58](=[O:59])[N:60]3[CH2:61][CH2:62][N:63]([C:66]([c:67]4[c:68]([C:73]([F:74])([F:75])[F:76])[cH:69][cH:70][cH:71][cH:72]4)=[O:77])[CH2:64][CH2:65]3)[CH2:23][CH2:24]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 176040671-(3-Phenylpropyl)piperidine-4-carboxylic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 595596771-(3-Phenyl-propyl)-piperidine-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-b7fd5fffdba64e0ba86688513b17fa2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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