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

HRID 309929Notes

Reaction equation

HRID 309929 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]([CH2:41][CH:42]([C:43](=[O:44])[OH:45])[c:46]1[cH:47][cH:48][c:49]([Cl:52])[cH:50][cH:51]1)[CH:53]([CH3:54])[CH3:55].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:56][CH2:57][Cl:58].[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>>[c:12]1(-[c:18]2[c:19]([N:27]3[CH2:28][CH2:29][N:30]([C:43]([CH:42]([CH2:41][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH:53]([CH3:54])[CH3:55])[c:46]4[cH:47][cH:48][c:49]([Cl:52])[cH:50][cH:51]4)=[O:44])[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

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 251786973-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acidHCID 687565245-phenyl-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 68764798tert-butyl N-[2-(4-chlorophenyl)-3-oxo-3-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]propyl]-N-propan-2-ylcarbamate

Sources & evidence

ORD record
ord-a34c66aeba4d43009ba81f94a29d40b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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