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

HRID 2136748Notes

Reaction equation

HRID 2136748 reaction equation
[B-:56]([F:57])([F:58])([F:59])[F:60].[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH:41]([CH:45]([C:46](=[O:47])[OH:48])[c:49]2[cH:50][cH:51][c:52]([Cl:55])[cH:53][cH:54]2)[CH2:42][CH2:43][CH2:44]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:78][CH2:79][Cl:80].[ClH:10].[ClH:11].[c:12]1(-[c:18]2[c:19]([N:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[c:20]3[c:21]([n:22][cH:23]2)[nH:24][n:25][cH:26]3)[cH:13][cH:14][cH:15][cH:16][cH:17]1.[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[c:12]1(-[c:18]2[c:19]([N:27]3[CH2:28][CH2:29][N:30]([C:46]([CH:45]([CH:41]4[N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:44][CH2:43][CH2:42]4)[c:49]4[cH:50][cH:51][c:52]([Cl:55])[cH:53][cH:54]4)=[O:47])[CH2:31][CH2:32]3)[c:20]3[c:21]([n:22][cH:23]2)[nH:24][n:25][cH:26]3)[cH:13][cH:14][cH:15][cH:16][cH:17]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 685224982-(4-Chlorophenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acidHCID 687565245-phenyl-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 77546208tert-butyl 2-[1-(4-chlorophenyl)-2-oxo-2-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-735425885bca4780800993e29c67f46f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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