Sodium ion → tert-butyl 9-anilino-6-oxo-7-(trifluoromethyl)-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate

HRID 1235746Notes

Reaction equation

HRID 1235746 reaction equation
[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([CH3:19])([CH3:20])[CH3:21].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH:31]2[N:32]([C:33](=[O:45])[c:34]3[c:35]([C:41]([F:42])([F:43])[F:44])[cH:36][c:37]([Br:40])[cH:38][c:39]32)[CH2:46][CH2:47]1.[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:70](=[CH:71][C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)=[O:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[NH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:60].[Pd:68].[Pd:69]>>[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH:31]2[N:32]([C:33](=[O:45])[c:34]3[c:35]([C:41]([F:42])([F:43])[F:44])[cH:36][c:37]([NH:48][c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:38][c:39]32)[CH2:46][CH2:47]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 6115AnilineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 68691844Tert-butyl 9-bromo-6-oxo-7-(trifluoromethyl)-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate

Product 1

HCID 178452203tert-butyl 9-anilino-6-oxo-7-(trifluoromethyl)-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carboxylate

Sources & evidence

ORD record
ord-9dc2acfa0f8d4584a989356b6bdf825a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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