Acetate → HCID 66760282, compound

HRID 138904Notes

Reaction equation

HRID 138904 reaction equation
[Br:67][c:68]1[c:69]([CH3:82])[c:70]([CH3:81])[c:71]2[c:72]([c:79]1[CH3:80])[C:73](=[O:78])[C:74]([CH3:76])([CH3:77])[O:75]2.[C:84]([O-:85])(=[O:86])[CH3:87].[C:89]([O-:90])(=[O:91])[CH3:92].[CH3:61][C:62]([CH3:63])([O-:64])[CH3:65].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[N:1]1([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[Na+:66].[OH2:83].[Pd+2:88].[cH:15]1[cH:16][cH:17][c:18]([P:19]([c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:25][cH:26][cH:27][cH:28]3)[c:29]2-[c:30]2[c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[cH:37][cH:38][c:39]2[P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60]1>>[N:1]1([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:2][CH2:3][N:4]([c:68]2[c:69]([CH3:82])[c:70]([CH3:81])[c:71]3[c:72]([c:79]2[CH3:80])[C:73](=[O:78])[C:74]([CH3:76])([CH3:77])[O:75]3)[CH2:5][CH2:6][CH2:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 22935579HCID 22935579, compound

Product 1

HCID 66760282HCID 66760282, compound

Sources & evidence

ORD record
ord-0f38699c85ed4c0aa565cf58344f3e47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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