Water → Dibenzofuran-2-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

HRID 158175

Reaction equation

HRID 158175 reaction equation
[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53].[NH2:54][CH2:55][C:56](=[O:57])[N:58]1[CH2:59][CH2:60][N:61]([C:64]([c:65]2[c:66]([C:71]([F:72])([F:73])[F:74])[cH:67][cH:68][cH:69][cH:70]2)=[O:75])[CH2:62][CH2:63]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:81].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1.[cH:10]1[c:11]([C:23](=[O:24])[OH:25])[cH:12][cH:13][c:14]2[o:15][c:16]3[c:17]([c:18]12)[cH:19][cH:20][cH:21][cH:22]3>>[cH:10]1[c:11]([C:23](=[O:25])[NH:54][CH2:55][C:56](=[O:57])[N:58]2[CH2:59][CH2:60][N:61]([C:64]([c:65]3[c:66]([C:71]([F:72])([F:73])[F:74])[cH:67][cH:68][cH:69][cH:70]3)=[O:75])[CH2:62][CH2:63]2)[cH:12][cH:13][c:14]2[o:15][c:16]3[c:17]([c:18]12)[cH:19][cH:20][cH:21][cH:22]3

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4174048-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 59559637Dibenzofuran-2-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-7ef41e0a07ad4ed68d8c46bbbd0e66f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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