Acetate → HCID 46910478, compound

HRID 2139204Notes

Reaction equation

HRID 2139204 reaction equation
[Br:28][c:29]1[cH:30][cH:31][c:32]([O:35][CH2:36][CH3:37])[cH:33][cH:34]1.[C:84]([O-:85])(=[O:86])[CH3:87].[C:89]([O-:90])(=[O:91])[CH3:92].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:7][O:8][c:9]1[c:10]([CH3:27])[c:11]([N:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[c:12]([CH3:20])[c:13]2[c:17]1[O:16][C:15]([CH3:18])([CH3:19])[CH2:14]2.[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH3:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Na+:6].[Pd+2:88].[cH:38]1[cH:39][cH:40][c:41]([P:42]([c:43]2[cH:44][cH:45][c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[c:52]2-[c:53]2[c:54]3[c:55]([cH:56][cH:57][cH:58][cH:59]3)[cH:60][cH:61][c:62]2[P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83]1>>[CH3:7][O:8][c:9]1[c:10]([CH3:27])[c:11]([N:21]2[CH2:22][CH2:23][N:24]([c:29]3[cH:30][cH:31][c:32]([O:35][CH2:36][CH3:37])[cH:33][cH:34]3)[CH2:25][CH2:26]2)[c:12]([CH3:20])[c:13]2[c:17]1[O:16][C:15]([CH3:18])([CH3:19])[CH2:14]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 685234-BromophenetoleHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 66760421HCID 66760421, compound

Product 1

HCID 46910478HCID 46910478, compound

Sources & evidence

ORD record
ord-21b68f08ba4143218b2c69790b1782bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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