Acetate → HCID 178442134, compound

HRID 1537272Notes

Reaction equation

HRID 1537272 reaction equation
[C:108]([O-:109])(=[O:110])[CH3:111].[C:113]([O-:114])(=[O:115])[CH3:116].[C:58]([CH3:59])([CH3:60])([CH3:61])[Si:62]([O:63][CH:64]([CH2:65][CH2:66][c:67]1[c:68]([CH3:94])[cH:69][c:70]([C:73]([CH2:74][CH3:75])([CH2:76][CH3:77])[c:78]2[cH:79][c:80]([CH3:93])[c:81]([B:84]3[O:85][C:86]([CH3:87])([CH3:88])[C:89]([CH3:90])([CH3:91])[O:92]3)[cH:82][cH:83]2)[cH:71][cH:72]1)[C:95]([CH3:96])([CH3:97])[CH3:98])([CH3:99])[CH3:100].[CH3:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[CH3:1][O:2][C:3]([CH:4]([c:5]1[cH:6][cH:7][c:8]([Cl:11])[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20].[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2-[c:35]2[c:36]([O:37][CH3:38])[cH:39][cH:40][cH:41][c:42]2[O:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[K+:55].[K+:56].[K+:57].[OH2:117].[P:50]([O-:51])([O-:52])([O-:53])=[O:54].[Pd+2:112]>>[CH3:1][O:2][C:3]([CH:4]([c:5]1[cH:6][cH:7][c:8](-[c:81]2[c:80]([CH3:93])[cH:79][c:78]([C:73]([c:70]3[cH:69][c:68]([CH3:94])[c:67]([CH2:66][CH2:65][CH:64]([O:63][Si:62]([C:58]([CH3:59])([CH3:60])[CH3:61])([CH3:99])[CH3:100])[C:95]([CH3:96])([CH3:97])[CH3:98])[cH:72][cH:71]3)([CH2:74][CH3:75])[CH2:76][CH3:77])[cH:83][cH:82]2)[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 577089262-[4-(1-{4-[3-(t-Butyldimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneHCID 67065142Methyl 2-((tert-butoxycarbonyl)amino)-2-(4-chlorophenyl)acetate

Product 1

HCID 178442134HCID 178442134, compound

Sources & evidence

ORD record
ord-1de4d903a5d446e9902330227086debc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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