Acetate → Tert-butyl 4-(2-(ethoxycarbonyl)-4-methylbenzofuran-5-yl)piperazine-1-carboxylate

HRID 1217459Notes

Reaction equation

HRID 1217459 reaction equation
[C:103]([O:104][CH2:105][CH3:106])(=[O:107])[CH3:108].[C:1](=[O:2])([O-:3])[O-:4].[C:69]([CH3:70])([CH3:71])([CH3:72])[O:73][C:74](=[O:75])[N:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1.[C:88]([O-:89])(=[O:90])[CH3:91].[C:93]([O-:94])(=[O:95])[CH3:96].[CH2:53]([CH3:54])[O:55][C:56](=[O:57])[c:58]1[o:59][c:60]2[c:61]([cH:62]1)[c:63]([CH3:68])[c:64]([Br:67])[cH:65][cH:66]2.[CH3:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH3:97][CH2:98][CH2:99][CH2:100][CH2:101][CH3:102].[Cs+:5].[Cs+:6].[Pd+2:92].[cH:7]1[cH:8][cH:9][c:10]([P:11]([c:12]2[cH:13][cH:14][c:15]3[c:16]([cH:17][cH:18][cH:19][cH:20]3)[c:21]2-[c:22]2[c:23]3[c:24]([cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30][c:31]2[P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52]1>>[CH2:53]([CH3:54])[O:55][C:56](=[O:57])[c:58]1[o:59][c:60]2[c:61]([cH:62]1)[c:63]([CH3:68])[c:64]([N:79]1[CH2:78][CH2:77][N:76]([C:74]([O:73][C:69]([CH3:70])([CH3:71])[CH3:72])=[O:75])[CH2:81][CH2:80]1)[cH:65][cH:66]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 634876Binap, (A+-)-HCID 67200885Ethyl 5-bromo-4-methylbenzofuran-2-carboxylate

Product 1

HCID 67201242Tert-butyl 4-(2-(ethoxycarbonyl)-4-methylbenzofuran-5-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-557ecf4ff5784ec89315ef1bb7401998
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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