Hydrochloric Acid → HCID 25164522, compound

HRID 1229438Notes

Reaction equation

HRID 1229438 reaction equation
[CH2:61]([c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[O:68][c:69]1[cH:70][cH:71][c:72](-[c:75]2[cH:76][c:77]([C:80](=[O:81])[OH:82])[n:78][o:79]2)[cH:73][cH:74]1.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:60].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[NH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[CH2:18][CH2:19]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH2:88].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[NH:10]([CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[CH2:18][CH2:19]1)[C:80]([c:77]1[cH:76][c:75](-[c:72]2[cH:71][cH:70][c:69]([O:68][CH2:61][c:62]3[cH:63][cH:64][cH:65][cH:66][cH:67]3)[cH:74][cH:73]2)[o:79][n:78]1)=[O:81]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 54846851HCID 54846851, compoundHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 25164522HCID 25164522, compound

Sources & evidence

ORD record
ord-cc091e0e3fcc4ac59be73345216e59ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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