Sodium ion → HCID 178430789, compound

HRID 2153525Notes

Reaction equation

HRID 2153525 reaction equation
[Br:15][c:16]1[cH:17][cH:18][c:19]([C:22]([C:23]([F:24])([F:25])[F:26])([CH3:27])[OH:28])[cH:20][cH:21]1.[CH3:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][NH:7]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([O:51][CH:52]([CH3:53])[CH3:54])[cH:55][cH:56][cH:57][c:58]2[O:59][CH:60]([CH3:61])[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Na+:34].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[OH2:68].[Pd:69].[Pd:70]>>[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][N:7]1[c:16]1[cH:17][cH:18][c:19]([C:22]([C:23]([F:24])([F:25])[F:26])([CH3:27])[OH:28])[cH:20][cH:21]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 162179852-Dicyclohexylphosphino-2',6'-diisopropoxybiphenylHCID 583472902-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 178430789HCID 178430789, compound

Sources & evidence

ORD record
ord-29c2cb3005c2427cbb78501b64413717
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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