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

HRID 1205866Notes

Reaction equation

HRID 1205866 reaction equation
[CH3:10][NH:11][C:12]([c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)=[O:22].[CH3:23][CH2:24][N:25]=[C:26]=[N:27][CH2:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:66].[NH2:44][CH2:45][C:46](=[O:47])[N:48]1[CH2:49][CH2:50][N:51]([C:54]([c:55]2[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]2)=[O:65])[CH2:52][CH2:53]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH3:10][NH:11][C:12]([c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:44][CH2:45][C:46](=[O:47])[N:48]2[CH2:49][CH2:50][N:51]([C:54]([c:55]3[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]3)=[O:65])[CH2:52][CH2:53]2)[cH:20][cH:21]1)=[O:22]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 5060584-((Methylamino)carbonyl)benzoic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 25167125N-methyl-N'-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-terephthalamide

Sources & evidence

ORD record
ord-3ca4d0fe21f14e08b9cfb5506295dc97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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