Ammonium → 7-(2-oxopyrrolidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 702431Notes

Reaction equation

HRID 702431 reaction equation
[C:65](=[O:66])([O-:67])[O-:68].[CH3:23][C:24]1([CH3:25])[c:26]2[cH:27][cH:28][cH:29][c:30]([P:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]2[O:45][c:46]2[c:47]1[cH:48][cH:49][cH:50][c:51]2[P:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl-:77].[Cs+:69].[Cs+:70].[I:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1.[NH4+:78].[NH:71]1[C:72](=[O:76])[CH2:73][CH2:74][CH2:75]1.[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:79].[Pd:80]>>[c:2]1([N:71]2[C:72](=[O:76])[CH2:73][CH2:74][CH2:75]2)[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 120252-PyrrolidoneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 231568037-iodo-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Product 1

HCID 118536737-(2-oxopyrrolidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-7dfe0730321c4e0d840742ea6bf3faf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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