Tetrahydrofuran → [7-Fluoro-2-(4-nitro-phenyl)-1-oxo-1,2-dihydro-isoquinolin-6-yl]-carbamic acid tert-butyl ester
Reaction equation
[C:30]([NH2:31])([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37].[C:38](=[O:39])([O-:40])[O-:41].[CH2:142]1[O:143][CH2:144][CH2:145][CH2:146]1.[CH3:44][C:45]1([CH3:46])[c:47]2[cH:48][cH:49][cH:50][c:51]([P:52]([c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[c:59]3[cH:60][cH:61][cH:62][cH:63][cH:64]3)[c:65]2[O:66][c:67]2[c:68]1[cH:69][cH:70][cH:71][c:72]2[P:73]([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cs+:42].[Cs+:43].[F:1][c:2]1[c:3]([O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])[cH:4][c:5]2[cH:6][cH:7][n:8](-[c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[c:9](=[O:12])[c:10]2[cH:11]1.[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87]>>[F:1][c:2]1[c:3]([NH:31][C:30]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:4][c:5]2[cH:6][cH:7][n:8](-[c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[c:9](=[O:12])[c:10]2[cH:11]1Participants
9
Reactant 8
HCID 8028Tetrahydrofuran
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 77922tert-Butyl carbamate
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 58998446Trifluoromethanesulfonic acid 7-fluoro-2-(4-nitro-phenyl)-1-oxo-1,2-dihydro-isoquinolin-6-yl esterProduct 1
Sources & evidence
- ORD record
- ord-8cd3c557c0d54696a3580e3c19b714dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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