Trifluoroacetic acid → 2-[3-(4-Chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-{2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

HRID 686136Notes

Reaction equation

HRID 686136 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7]([CH2:8][CH:9]([OH:10])[C:11]([F:12])([F:13])[F:14])[c:15](=[O:16])[n:17]([CH2:18][C:19]([NH:20][CH:21]([c:22]3[cH:23][cH:24][cH:25][c:26]([F:27])[c:28]3[F:29])[CH2:30][OH:31])=[O:32])[n:33]2)[cH:34][cH:35]1.[Cl:36][c:37]1[cH:38][cH:39][c:40](-[c:43]2[n:44][n:45]([CH2:52][C:53](=[O:54])[OH:55])[c:46](=[O:51])[n:47]2[CH:48]2[CH2:49][CH2:50]2)[cH:41][cH:42]1.[F:56][C:57]([F:58])([F:59])[C:60]([OH:61])=[O:62].[NH2:63][CH:64]([CH2:65][OH:66])[c:67]1[cH:68][c:69]([C:73]([F:74])([F:75])[F:76])[cH:70][cH:71][cH:72]1>>[Cl:36][c:37]1[cH:38][cH:39][c:40](-[c:43]2[n:44][n:45]([CH2:52][C:53](=[O:54])[NH:63][CH:64]([CH2:65][OH:66])[c:67]3[cH:68][c:69]([C:73]([F:74])([F:75])[F:76])[cH:70][cH:71][cH:72]3)[c:46](=[O:51])[n:47]2[CH:48]2[CH2:49][CH2:50]2)[cH:41][cH:42]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 42632357[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acidHCID 54775902b-Amino-3-(trifluoromethyl)benzeneethanolHCID 723195042-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]-N-[1-(2,3-difluorophenyl)-2-hydroxyethyl]acetamide

Product 1

HCID 469280742-[3-(4-Chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-{2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

Sources & evidence

ORD record
ord-d96561462ae74aa9b0280d6a9d7d452f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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