Hydrochloric Acid → tert-butyl 2-[1-(4-chlorophenyl)-2-[4-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylate

HRID 1144748Notes

Reaction equation

HRID 1144748 reaction equation
[C:52]([CH3:53])([CH3:54])([CH3:55])[O:56][C:57](=[O:58])[N:59]1[CH:60]([CH:64]([C:65](=[O:66])[OH:67])[c:68]2[cH:69][cH:70][c:71]([Cl:74])[cH:72][cH:73]2)[CH2:61][CH2:62][CH2:63]1.[CH3:3][c:4]1[c:5]([N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:6]2[c:7]([n:8][cH:9]1)[nH:10][n:11][cH:12]2.[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[ClH:1].[ClH:2].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH3:3][c:4]1[c:5]([N:13]2[CH2:14][CH2:15][N:16]([C:65]([CH:64]([CH:60]3[N:59]([C:57]([O:56][C:52]([CH3:53])([CH3:54])[CH3:55])=[O:58])[CH2:63][CH2:62][CH2:61]3)[c:68]3[cH:69][cH:70][c:71]([Cl:74])[cH:72][cH:73]3)=[O:66])[CH2:17][CH2:18]2)[c:6]2[c:7]([n:8][cH:9]1)[nH:10][n:11][cH:12]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 685224982-(4-Chlorophenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acidHCID 687596975-methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 77546558tert-butyl 2-[1-(4-chlorophenyl)-2-[4-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-e8e1a345882b488abeaed5a4c1344f4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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