Sodium ion → HCID 71138417, compound

HRID 2332173Notes

Reaction equation

HRID 2332173 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([Br:7])[cH:8]1.[CH3:20][C:21]([CH3:22])([O-:23])[CH3:24].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[NH:9]1[CH2:10][CH2:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[CH2:18][CH2:19]1.[Na+:25].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[OH2:33].[Pd:40].[Pd:41]>>[c:2]1([N:9]2[CH2:10][CH2:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[CH2:18][CH2:19]2)[cH:3][cH:4][cH:5][c:6]([Br:7])[cH:8]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 79271,3-DibromobenzeneHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 70770Ethyl 4-piperidinecarboxylateHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olate

Product 1

HCID 71138417HCID 71138417, compound

Sources & evidence

ORD record
ord-975f72d74cce4e22beeb7371fc08d7a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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