Hydrochloric Acid → 4-[1,3,4]oxadiazol-2-yl-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

HRID 2155261Notes

Reaction equation

HRID 2155261 reaction equation
[CH3:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:67].[NH2:45][CH2:46][C:47](=[O:48])[N:49]1[CH2:50][CH2:51][N:52]([C:55]([c:56]2[c:57]([C:62]([F:63])([F:64])[F:65])[cH:58][cH:59][cH:60][cH:61]2)=[O:66])[CH2:53][CH2:54]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1.[o:10]1[c:11](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[n:12][n:13][cH:14]1>>[o:10]1[c:11](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:21])[NH:45][CH2:46][C:47](=[O:48])[N:49]3[CH2:50][CH2:51][N:52]([C:55]([c:56]4[c:57]([C:62]([F:63])([F:64])[F:65])[cH:58][cH:59][cH:60][cH:61]4)=[O:66])[CH2:53][CH2:54]3)[cH:22][cH:23]2)[n:12][n:13][cH:14]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 71310554-(1,3,4-oxadiazol-2-yl)benzoic AcidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 251671224-[1,3,4]oxadiazol-2-yl-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

Sources & evidence

ORD record
ord-f834a5a05f1e4843b7ca03104616d123
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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