Hydrochloric Acid → 3-oxo-N-(4-phenylamino-phenyl)-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionamide

HRID 1209035Notes

Reaction equation

HRID 1209035 reaction equation
[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:55].[O:20]=[C:21]([CH2:22][C:23](=[O:24])[OH:25])[N:26]1[CH2:27][CH2:28][N:29]([C:32]([c:33]2[c:34]([C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37][cH:38]2)=[O:43])[CH2:30][CH2:31]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:56]1([NH:62][c:63]2[cH:64][cH:65][c:66]([NH2:69])[cH:67][cH:68]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[O:20]=[C:21]([CH2:22][C:23](=[O:25])[NH:69][c:66]1[cH:65][cH:64][c:63]([NH:62][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:68][cH:67]1)[N:26]1[CH2:27][CH2:28][N:29]([C:32]([c:33]2[c:34]([C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37][cH:38]2)=[O:43])[CH2:30][CH2:31]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 7564N-Phenyl-p-phenylenediamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 578758113-Oxo-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionic acid

Product 1

HCID 442314463-oxo-N-(4-phenylamino-phenyl)-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionamide

Sources & evidence

ORD record
ord-24602644afe044e09f18516a7f58c0da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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