Water → 4-(Methyl-phenyl-amino)-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

HRID 1222003Notes

Reaction equation

HRID 1222003 reaction equation
[CH3:10][N:11]([c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:70][C:71]([F:72])([F:73])[C:74]([OH:75])=[O:76].[NH2:48][CH2:49][C:50](=[O:51])[N:52]1[CH2:53][CH2:54][N:55]([C:58]([c:59]2[c:60]([C:65]([F:66])([F:67])[F:68])[cH:61][cH:62][cH:63][cH:64]2)=[O:69])[CH2:56][CH2:57]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[CH3:10][N:11]([c:12]1[cH:13][cH:14][c:15]([C:16](=[O:18])[NH:48][CH2:49][C:50](=[O:51])[N:52]2[CH2:53][CH2:54][N:55]([C:58]([c:59]3[c:60]([C:65]([F:66])([F:67])[F:68])[cH:61][cH:62][cH:63][cH:64]3)=[O:69])[CH2:56][CH2:57]2)[cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 232051694-(Methyl(phenyl)amino)benzoic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 595596214-(Methyl-phenyl-amino)-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

Sources & evidence

ORD record
ord-231110624c54442a86f2b92f693f79ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…