Acetate → HCID 14894668, compound

HRID 315812Notes

Reaction equation

HRID 315812 reaction equation
[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH2:24]([C:25]#[CH:26])[N:27]1[C:28](=[O:37])[CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21.[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[F:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[cH:15][c:16]([I:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[I-:57].[Pd+2:62].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[F:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[cH:15][c:16]([C:26]#[C:25][CH2:24][N:27]2[C:28](=[O:37])[CH2:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]42)[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 30165Iodide IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 14851835HCID 14851835, compoundHCID 14894666HCID 14894666, compound

Product 1

HCID 14894668HCID 14894668, compound

Sources & evidence

ORD record
ord-649418f8b2e64b23af60434b6f11bd2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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