Acetate → HCID 11772109, compound

HRID 103721Notes

Reaction equation

HRID 103721 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]2[O:9][CH2:10][CH2:11][O:12]2)[cH:5][cH:6][cH:7]1.[C:92]([O-:93])(=[O:94])[CH3:95].[C:97]([O-:98])(=[O:99])[CH3:100].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[N:20]1[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]1.[CH3:73][C:74]([CH3:75])([O-:76])[CH3:77].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[Na+:78].[Pd+2:96].[cH:27]1[cH:28][cH:29][c:30]([P:31]([c:32]2[cH:33][cH:34][c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[c:41]2-[c:42]2[c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[cH:49][cH:50][c:51]2[P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72]1>>[c:2]1([NH:26][CH:23]2[CH2:22][CH2:21][N:20]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:25][CH2:24]2)[cH:3][c:4]([CH:8]2[O:9][CH2:10][CH2:11][O:12]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 873062-(3-Bromophenyl)-1,3-dioxolaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4158521-Benzyl-4-piperidylamineHCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olate

Product 1

HCID 11772109HCID 11772109, compound

Sources & evidence

ORD record
ord-1796914a6cc542d99dacb0cf5465c8fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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