Sodium ion → 4-[5-(4-(benzyloxycarbonyl)piperazin-1-yl)pyridin-2-yl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

HRID 679659Notes

Reaction equation

HRID 679659 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:18]2[n:19][cH:20][c:21]([Br:24])[cH:22][cH:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21.[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:139][CH2:140][O:141][C:142](=[O:143])[CH3:144].[CH3:70][C:71]([CH3:72])([O-:73])[CH3:74].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:41]1([P:42]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2-[c:55]2[c:56]([O:57][CH3:58])[cH:59][cH:60][cH:61][c:62]2[O:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Na+:75].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:18]2[n:19][cH:20][c:21]([N:38]3[CH2:37][CH2:36][N:35]([C:33]([O:32][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)=[O:34])[CH2:40][CH2:39]3)[cH:22][cH:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21

Participants

10

Reactant 9

HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 643495Benzyl piperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 668635404-(5-bromopyridin-2-yl)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

Product 1

HCID 668631914-[5-(4-(benzyloxycarbonyl)piperazin-1-yl)pyridin-2-yl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-66c8c57c45ed4aaeb1194a0385ae73c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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