Hydrochloric Acid → 1-[4-(4-chloro-3-ethoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

HRID 207242Notes

Reaction equation

HRID 207242 reaction equation
[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:3][c:4]1[c:5]([O:17][CH2:18][CH3:19])[cH:6][c:7]([N:10]2[CH2:11][CH:12]([CH3:16])[NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1.[ClH:1].[ClH:2].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[nH:20]1[c:21](-[c:25]2[n:26][n:27]([CH2:34][C:35](=[O:36])[OH:37])[c:28]3[n:29][cH:30][cH:31][cH:32][c:33]23)[n:22][cH:23][cH:24]1>>[Cl:3][c:4]1[c:5]([O:17][CH2:18][CH3:19])[cH:6][c:7]([N:10]2[CH2:11][CH:12]([CH3:16])[N:13]([C:35]([CH2:34][n:27]3[n:26][c:25](-[c:21]4[nH:20][cH:24][cH:23][n:22]4)[c:33]4[c:28]3[n:29][cH:30][cH:31][cH:32]4)=[O:36])[CH2:14][CH2:15]2)[cH:8][cH:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 671040981-(4-Chloro-3-ethoxyphenyl)-3-methylpiperazineHCID 1361746462-(3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Product 1

HCID 1358822791-[4-(4-chloro-3-ethoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

Sources & evidence

ORD record
ord-d50924b4c01142848c0d354fe2a5b4cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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