Hydrochloric Acid → tert-butyl N-[2-(4-chlorophenyl)-3-[4-(3-methoxy-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylcarbamate

HRID 673302Notes

Reaction equation

HRID 673302 reaction equation
[B-:35]([F:36])([F:37])([F:38])[F:39].[C:57]([CH3:58])([CH3:59])([CH3:60])[O:61][C:62](=[O:63])[N:64]([CH2:65][CH:66]([C:67](=[O:68])[OH:69])[c:70]1[cH:71][cH:72][c:73]([Cl:76])[cH:74][cH:75]1)[CH:77]([CH3:78])[CH3:79].[CH3:12][O:13][c:14]1[n:15][nH:16][c:17]2[n:18][cH:19][c:20](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:21]([N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[c:22]12.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:80][CH2:81][Cl:82].[ClH:10].[ClH:11].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:12][O:13][c:14]1[n:15][nH:16][c:17]2[n:18][cH:19][c:20](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:21]([N:23]3[CH2:24][CH2:25][N:26]([C:67]([CH:66]([CH2:65][N:64]([C:62]([O:61][C:57]([CH3:58])([CH3:59])[CH3:60])=[O:63])[CH:77]([CH3:78])[CH3:79])[c:70]4[cH:71][cH:72][c:73]([Cl:76])[cH:74][cH:75]4)=[O:68])[CH2:27][CH2:28]3)[c:22]12

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 251786973-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acidHCID 687585923-methoxy-5-phenyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 68758067tert-butyl N-[2-(4-chlorophenyl)-3-[4-(3-methoxy-5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylcarbamate

Sources & evidence

ORD record
ord-87c567ed09b9404bb42883ad9884c5db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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