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

HRID 305231Notes

Reaction equation

HRID 305231 reaction equation
[B-:58]([F:59])([F:60])([F:61])[F:62].[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH:41]([CH:47]([C:48](=[O:49])[OH:50])[c:51]2[cH:52][cH:53][c:54]([Cl:57])[cH:55][cH:56]2)[CH2:42][CH2:43][C:44]1([CH3:45])[CH3:46].[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].[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:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[c:12]1(-[c:18]2[c:19]([N:27]3[CH2:28][CH2:29][N:30]([C:48]([CH:47]([CH:41]4[N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[C:44]([CH3:45])([CH3:46])[CH2:43][CH2:42]4)[c:51]4[cH:52][cH:53][c:54]([Cl:57])[cH:55][cH:56]4)=[O:49])[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 687565245-phenyl-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridineHCID 723274152-(4-Chlorophenyl)-2-[5,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid

Product 1

HCID 77568327tert-butyl 5-[1-(4-chlorophenyl)-2-oxo-2-[4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-cb03ff4dd972481c8c3ea10a3daa7975
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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