Hydrochloric Acid → 5-Phenyl-[1,3,4]oxadiazole-2-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

HRID 2124939Notes

Reaction equation

HRID 2124939 reaction equation
[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:31].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60].[Li:61].[NH2:32][CH2:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][N:39]([C:42]([c:43]2[c:44]([C:49]([F:50])([F:51])[F:52])[cH:45][cH:46][cH:47][cH:48]2)=[O:53])[CH2:40][CH2:41]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:81].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1.[c:62]1(-[c:68]2[n:69][n:70][c:71]([C:73](=[O:74])[OH:75])[o:72]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[NH:32]([CH2:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][N:39]([C:42]([c:43]2[c:44]([C:49]([F:50])([F:51])[F:52])[cH:45][cH:46][cH:47][cH:48]2)=[O:53])[CH2:40][CH2:41]1)[C:73]([c:71]1[n:70][n:69][c:68](-[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[o:72]1)=[O:74]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 3028194LithiumHCID 233586875-Phenyl-1,3,4-oxadiazole-2-carboxylic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 578556405-Phenyl-[1,3,4]oxadiazole-2-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-003ac71025104f7b9cdb153ee32c4954
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…