Acetate → HCID 68958760, compound

HRID 1208292Notes

Reaction equation

HRID 1208292 reaction equation
[Br:27][c:28]1[cH:29][c:30]([NH:34][C:35]([CH3:36])=[O:37])[cH:31][cH:32][cH:33]1.[C:128]([O-:129])(=[O:130])[CH3:131].[C:133]([O-:134])(=[O:135])[CH3:136].[C:21](=[O:22])([O-:23])[O-:24].[CH3:138][CH2:139][O:140][C:141](=[O:142])[CH3:143].[CH3:144][C:145]([OH:146])([CH3:147])[CH3:148].[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]2[CH:64]([CH3:65])[CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cs+:25].[Cs+:26].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:14]1.[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[OH2:137].[Pd+2:132].[Pd:72].[Pd:73]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:14]1)[c:28]1[cH:29][c:30]([NH:34][C:35]([CH3:36])=[O:37])[cH:31][cH:32][cH:33]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 962WaterHCID 6386tert-ButanolHCID 8857Ethyl AcetateHCID 12123N-(3-Bromophenyl)acetamideHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 58508425Tert-butyl 3-amino-[1,1'-biphenyl]-4-carboxylate

Product 1

HCID 68958760HCID 68958760, compound

Sources & evidence

ORD record
ord-e4fb21dc71eb4a83b8d684b0aa935196
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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