Acetate → HCID 178436209, compound

HRID 1209656Notes

Reaction equation

HRID 1209656 reaction equation
[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH3:26][n:27]1[n:28][cH:29][cH:30][c:31]1[CH:32]=[CH2:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:63][C:64]#[N:65].[Pd+2:70].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][c:47]1[P:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][c:61]1[CH3:62].[n:1]1([CH2:6][C:7]([CH:8]([CH3:9])[c:10]2[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]2)([OH:17])[c:18]2[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:2][cH:3][n:4][cH:5]1>>[n:1]1([CH2:6][C:7]([CH:8]([CH3:9])[c:10]2[cH:11][cH:12][c:13]([CH:33]=[CH:32][c:31]3[n:27]([CH3:26])[n:28][cH:29][cH:30]3)[cH:14][cH:15]2)([OH:17])[c:18]2[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:2][cH:3][n:4][cH:5]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 13036321HCID 13036321, compoundHCID 178436489HCID 178436489, compound

Product 1

HCID 178436209HCID 178436209, compound

Sources & evidence

ORD record
ord-a6c564bd24fb4d659349495fc89a8f1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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