Hydrochloric Acid → N-{2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-4-(4-methyl-piperazin-1-yl)-benzamide

HRID 113304

Reaction equation

HRID 113304 reaction equation
[CH3:11][N:12]1[CH2:13][CH2:14][N:15]([c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26]2)[CH2:16][CH2:17]1.[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:10].[ClH:48].[NH2:49][CH2:50][C:51](=[O:52])[N:53]1[CH2:54][CH2:55][N:56]([C:59]([c:60]2[c:61]([C:67]([F:68])([F:69])[F:70])[cH:62][cH:63][c:64]([F:66])[cH:65]2)=[O:71])[CH2:57][CH2:58]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH3:11][N:12]1[CH2:13][CH2:14][N:15]([c:18]2[cH:19][cH:20][c:21]([C:22](=[O:24])[NH:49][CH2:50][C:51](=[O:52])[N:53]3[CH2:54][CH2:55][N:56]([C:59]([c:60]4[c:61]([C:67]([F:68])([F:69])[F:70])[cH:62][cH:63][c:64]([F:66])[cH:65]4)=[O:71])[CH2:57][CH2:58]3)[cH:25][cH:26]2)[CH2:16][CH2:17]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 7365324-(4-Methylpiperazin-1-yl)benzoic acidHCID 595595982-Amino-1-[4-(2-trifluoromethyl-5-fluoro-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 57855654N-{2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-4-(4-methyl-piperazin-1-yl)-benzamide

Sources & evidence

ORD record
ord-8b97603737a04caeb1a532c8c158ff5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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