Ammonium → 5-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

HRID 2338925Notes

Reaction equation

HRID 2338925 reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:1][c:2]1[c:3]([C:7](=[O:8])[OH:9])[cH:4][n:5][nH:6]1.[Cl-:62].[F:44][C:45]([c:46]1[cH:47][c:48]([CH:52]([CH3:53])[NH2:54])[cH:49][cH:50][cH:51]1)([F:55])[F:56].[NH4+:63].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][P+:26]([N:27]([CH3:28])[CH3:29])([N:30]([CH3:31])[CH3:32])[N:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH3:1][c:2]1[c:3]([C:7](=[O:9])[NH:54][CH:52]([c:48]2[cH:47][c:46]([C:45]([F:44])([F:55])[F:56])[cH:51][cH:50][cH:49]2)[CH3:53])[cH:4][n:5][nH:6]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 5576005-methyl-1H-pyrazole-4-carboxylic acidHCID 2782448(1R)-1-(3-(Trifluoromethyl)phenyl)ethylamine

Product 1

HCID 584434015-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-694306c1019248d086260a2a88412a74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…