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

HRID 1135236Notes

Reaction equation

HRID 1135236 reaction equation
[CH3:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:71][C:72]([F:73])([F:74])[C:75]([OH:76])=[O:77].[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:66]([F:67])([F:68])[F:69])[cH:62][cH:63][cH:64][cH:65]2)=[O:70])[CH2:57][CH2:58]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:83].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1.[c:10]1([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:25])[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:66]([F:67])([F:68])[F:69])[cH:62][cH:63][cH:64][cH:65]4)=[O:70])[CH2:57][CH2:58]3)[cH:26][cH:27]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 79322Benzoic acid, 4-(phenylsulfonyl)-HCID 81531DiisopropylethylamineHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 251673254-benzenesulfonyl-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

Sources & evidence

ORD record
ord-1f8cb09b9843400ab61d3e531b53af03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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