2-Pyrrolidone → Methyl 3-bromo-5-(2-oxopyrrolidin-1-yl)benzoate

HRID 682847Notes

Reaction equation

HRID 682847 reaction equation
[C:13](=[O:14])([O-:15])[O-:16].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:11])[cH:7][c:8]([I:10])[cH:9]1)=[O:12].[Cs+:17].[Cs+:18].[O:19]=[C:20]1[CH2:21][CH2:22][CH2:23][NH:24]1.[O:27]=[C:28]([CH:29]=[CH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]1[CH2:82][CH2:83][O:84][CH2:85][CH2:86]1.[Pd:25].[Pd:26]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:11])[cH:7][c:8]([N:24]2[C:20](=[O:19])[CH2:21][CH2:22][CH2:23]2)[cH:9]1)=[O:12]

Participants

8

Reactant 7

HCID 120252-PyrrolidoneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 21942573Methyl 3-bromo-5-iodobenzoate

Product 1

HCID 22253055Methyl 3-bromo-5-(2-oxopyrrolidin-1-yl)benzoate

Sources & evidence

ORD record
ord-44e6d9bcbc824f02ba1bcf91a4b41d55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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