Hydrochloric Acid → 1-[4-(4-Chloro-3-trifluoromethyl-phenyl)-piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)-pyrazolo[3,4-b]pyridin-1-yl]-ethanone

HRID 186784Notes

Reaction equation

HRID 186784 reaction equation
[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:45][c:46]1[c:47]([C:58]([F:59])([F:60])[F:61])[cH:48][c:49]([N:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[cH:50][cH:51]1.[ClH:43].[ClH:44].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[nH:1]1[c:2](-[c:6]2[n:7][n:8]([CH2:15][C:16](=[O:17])[OH:18])[c:9]3[n:10][cH:11][cH:12][cH:13][c:14]23)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2](-[c:6]2[n:7][n:8]([CH2:15][C:16](=[O:18])[N:55]3[CH2:54][CH2:53][N:52]([c:49]4[cH:48][c:47]([C:58]([F:59])([F:60])[F:61])[c:46]([Cl:45])[cH:51][cH:50]4)[CH2:57][CH2:56]3)[c:9]3[n:10][cH:11][cH:12][cH:13][c:14]23)[n:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27781371-(4-Chloro-3-(trifluoromethyl)phenyl)piperazineHCID 1361746462-(3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Product 1

HCID 1358822541-[4-(4-Chloro-3-trifluoromethyl-phenyl)-piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)-pyrazolo[3,4-b]pyridin-1-yl]-ethanone

Sources & evidence

ORD record
ord-ffab4f38b28a475d86228379d5097870
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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