2-Pyrrolidone → Methyl 4-(2-oxopyrrolidin-1-yl)benzoate

HRID 684791Notes

Reaction equation

HRID 684791 reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH3:7][O:8][C:9]([c:10]1[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]1)=[O:17].[Cs+:22].[Cs+:23].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][NH:6]1.[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[O:32]=[C:33]([CH:34]=[CH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Pd:30].[Pd:31]>>[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][N:6]1[c:13]1[cH:12][cH:11][c:10]([C:9]([O:8][CH3:7])=[O:17])[cH:15][cH:14]1

Participants

8

Reactant 7

HCID 120252-PyrrolidoneHCID 12081Methyl 4-bromobenzoateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×

Product 1

HCID 757827Methyl 4-(2-oxopyrrolidin-1-yl)benzoate

Sources & evidence

ORD record
ord-44aeb3bb85314d109be5a772acbd0598
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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