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

HRID 155891Notes

Reaction equation

HRID 155891 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH:36]([CH:40]([C:41](=[O:42])[OH:43])[c:44]2[cH:45][cH:46][c:47]([Cl:50])[cH:48][cH:49]2)[CH2:37][CH2:38][CH2:39]1.[CH2:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH:24]([CH3:25])[CH3:26])[CH3:27].[Cl: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.[Cl:51][CH2:52][Cl:53].[ClH:1].[ClH:2]>>[Cl:3][c:4]1[c:5]([N:13]2[CH2:14][CH2:15][N:16]([C:41]([CH:40]([CH:36]3[N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:39][CH2:38][CH2:37]3)[c:44]3[cH:45][cH:46][c:47]([Cl:50])[cH:48][cH:49]3)=[O:42])[CH2:17][CH2:18]2)[c:6]2[c:7]([n:8][cH:9]1)[nH:10][n:11][cH:12]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 685224982-(4-Chlorophenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acidHCID 687613575-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 77546541tert-butyl 2-[1-(4-chlorophenyl)-2-[4-(5-chloro-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-56c273c000d9439ba3fb3363223b2d8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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