Benzoic Acid → N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide

HRID 193916Notes

Reaction equation

HRID 193916 reaction equation
[CH2:43]([CH3:44])[NH:45][CH2:46][C:47]([C:48]([F:49])([F:50])[F:51])([OH:52])[CH2:53][NH:54][c:55]1[c:56]2[cH:57][n:58][n:59](-[c:64]3[cH:65][cH:66][cH:67][cH:68][cH:69]3)[c:60]2[cH:61][cH:62][cH:63]1.[CH3:75][S:76](=[O:77])[CH3:78].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:45]([CH2:43][CH3:44])[CH2:46][C:47]([C:48]([F:49])([F:50])[F:51])([OH:52])[CH2:53][NH:54][c:55]1[c:56]2[cH:57][n:58][n:59](-[c:64]3[cH:65][cH:66][cH:67][cH:68][cH:69]3)[c:60]2[cH:61][cH:62][cH:63]1

Participants

8

Reactant 7

HCID 243Benzoic AcidHCID 679Dimethyl SulfoxideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 593241573-(Ethylamino)-1,1,1-trifluoro-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}-2-propanol

Product 1

HCID 24769095N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide

Sources & evidence

ORD record
ord-a0b5cbc7ba124ce085d39dee779c8f5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…