Acetate → HCID 58063581, compound

HRID 122010Notes

Reaction equation

HRID 122010 reaction equation
[C:100]([O-:101])(=[O:102])[CH3:103].[C:105]([O-:106])(=[O:107])[CH3:108].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[I:7][c:8]1[c:9]([O:36][CH3:37])[cH:10][c:11](-[c:14]2[n:15][n:16][n:17]([CH:19]3[C:20](=[O:35])[N:21]([CH2:30][C:31]([F:32])([F:33])[F:34])[c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[cH:18]2)[cH:12][cH:13]1.[K+:43].[O:95]=[CH:96][N:97]([CH3:98])[CH3:99].[Pd+2:104].[cH:49]1[cH:50][cH:51][c:52]([P:53]([c:54]2[cH:55][cH:56][c:57]3[c:58]([cH:59][cH:60][cH:61][cH:62]3)[c:63]2-[c:64]2[c:65]3[c:66]([cH:67][cH:68][cH:69][cH:70]3)[cH:71][cH:72][c:73]2[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94]1.[s:1]1[c:2]([NH2:6])[n:3][cH:4][cH:5]1>>[s:1]1[c:2]([NH:6][c:8]2[c:9]([O:36][CH3:37])[cH:10][c:11](-[c:14]3[n:15][n:16][n:17]([CH:19]4[C:20](=[O:35])[N:21]([CH2:30][C:31]([F:32])([F:33])[F:34])[c:22]5[c:23]([cH:26][cH:27][cH:28][cH:29]5)[CH2:24][CH2:25]4)[cH:18]3)[cH:12][cH:13]2)[n:3][cH:4][cH:5]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 21552-AminothiazoleHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 66683035HCID 66683035, compound

Product 1

HCID 58063581HCID 58063581, compound

Sources & evidence

ORD record
ord-2962e9878922442ebf16f779626f2ebf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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