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

HRID 165235Notes

Reaction equation

HRID 165235 reaction equation
[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:46].[NH2:47][CH2:48][C:49](=[O:50])[N:51]1[CH2:52][CH2:53][N:54]([C:57]([c:58]2[c:59]([C:64]([F:65])([F:66])[F:67])[cH:60][cH:61][cH:62][cH:63]2)=[O:68])[CH2:55][CH2:56]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:80].[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1.[n:10]1[c:11](-[c:16]2[cH:17][cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:12][cH:13][cH:14][cH:15]1>>[n:10]1[c:11](-[c:16]2[cH:17][cH:18][c:19]([C:20](=[O:22])[NH:47][CH2:48][C:49](=[O:50])[N:51]3[CH2:52][CH2:53][N:54]([C:57]([c:58]4[c:59]([C:64]([F:65])([F:66])[F:67])[cH:60][cH:61][cH:62][cH:63]4)=[O:68])[CH2:55][CH2:56]3)[cH:23][cH:24]2)[cH:12][cH:13][cH:14][cH:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 8216924-(2-Pyridyl)Benzoic AcidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 57855667N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-4-pyridin-2-yl-benzamide

Sources & evidence

ORD record
ord-14576ef3e15c4924bd9bb89b7e8d480c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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