Acetate → HCID 9842076, compound

HRID 155643Notes

Reaction equation

HRID 155643 reaction equation
[C:94]([O-:95])(=[O:96])[CH3:97].[C:99]([O-:100])(=[O:101])[CH3:102].[CH2:15]([CH3:16])[N:17]([C:18]([c:19]1[cH:20][cH:21][c:22]([Br:25])[cH:23][cH:24]1)=[O:26])[CH2:27][CH3:28].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([NH2:14])[CH2:12][CH2:13]1.[CH3:75][C:76]([CH3:77])([O-:78])[CH3:79].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[Na+:80].[Pd+2:98].[cH:29]1[cH:30][cH:31][c:32]([P:33]([c:34]2[cH:35][cH:36][c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[c:43]2-[c:44]2[c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[cH:51][cH:52][c:53]2[P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:22]2[cH:21][cH:20][c:19]([C:18]([N:17]([CH2:15][CH3:16])[CH2:27][CH3:28])=[O:26])[cH:24][cH:23]2)[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4158521-Benzyl-4-piperidylamineHCID 634876Binap, (A+-)-HCID 44982544-bromo-N,N-diethylbenzamideHCID 45749132-Methylpropan-2-olate

Product 1

HCID 9842076HCID 9842076, compound

Sources & evidence

ORD record
ord-e5241a624d0a4532b04ff1612dc66336
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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