Hydrochloric Acid → HCID 25164320, compound

HRID 1535375Notes

Reaction equation

HRID 1535375 reaction equation
[C: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:73](=[O:74])[OH:75])[cH:76][cH:77]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: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>>[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:73]([c:72]1[cH:71][cH:70][c:69]([C:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)=[O:68])[cH:77][cH:76]1)=[O:74]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 691474-Benzoylbenzoic acidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 25164320HCID 25164320, compound

Sources & evidence

ORD record
ord-49ebe5e9ada340cdb401978641b69284
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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