Acetate → HCID 68512288, compound

HRID 2124902Notes

Reaction equation

HRID 2124902 reaction equation
[CH3:45][n:46]1[n:47][cH:48][c:49]([B:51]2[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]2)[cH:50]1.[CH3:90][C:91]#[N:92].[CH:60]1([P:61]([CH:62]2[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]2)[CH:68]2[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]2)[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[Cs+:80].[F-:79].[F:1][c:2]1[cH:3][c:4]([NH:28][C:29](=[O:30])[c:31]2[c:32](=[O:44])[n:33](-[c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[n:34][cH:35][cH:36]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[n:16][c:17]2[I:18].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[Pd+2:81]>>[F:1][c:2]1[cH:3][c:4]([NH:28][C:29](=[O:30])[c:31]2[c:32](=[O:44])[n:33](-[c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[n:34][cH:35][cH:36]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[n:16][c:17]2-[c:49]1[cH:48][n:47][n:46]([CH3:45])[cH:50]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6342AcetonitrileHCID 28179Fluoride IonHCID 75806TricyclohexylphosphineHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 68513145HCID 68513145, compound

Product 1

HCID 68512288HCID 68512288, compound

Sources & evidence

ORD record
ord-74cd6a3aca30410ea53caf2310a78860
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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