Acetate → HCID 58063567, compound

HRID 1143478Notes

Reaction equation

HRID 1143478 reaction equation
[C:101]([O-:102])(=[O:103])[CH3:104].[C:106]([O-:107])(=[O:108])[CH3:109].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[I:8][c:9]1[c:10]([O:37][CH3:38])[cH:11][c:12](-[c:15]2[n:16][n:17][n:18]([CH:20]3[C:21](=[O:36])[N:22]([CH2:31][C:32]([F:33])([F:34])[F:35])[c:23]4[c:24]([cH:27][cH:28][cH:29][cH:30]4)[CH2:25][CH2:26]3)[cH:19]2)[cH:13][cH:14]1.[K+:44].[O:96]=[CH:97][N:98]([CH3:99])[CH3:100].[Pd+2:105].[cH:50]1[cH:51][cH:52][c:53]([P:54]([c:55]2[cH:56][cH:57][c:58]3[c:59]([cH:60][cH:61][cH:62][cH:63]3)[c:64]2-[c:65]2[c:66]3[c:67]([cH:68][cH:69][cH:70][cH:71]3)[cH:72][cH:73][c:74]2[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95]1.[n:1]1[cH:2][c:3]([NH2:7])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([NH:7][c:9]2[c:10]([O:37][CH3:38])[cH:11][c:12](-[c:15]3[n:16][n:17][n:18]([CH:20]4[C:21](=[O:36])[N:22]([CH2:31][C:32]([F:33])([F:34])[F:35])[c:23]5[c:24]([cH:27][cH:28][cH:29][cH:30]5)[CH2:25][CH2:26]4)[cH:19]3)[cH:13][cH:14]2)[cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 100093-AminopyridineHCID 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 58063567HCID 58063567, compound

Sources & evidence

ORD record
ord-42c44ec3452f4ab98c2ea1c81b9be610
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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