Acetate → HCID 86584827, compound

HRID 171326Notes

Reaction equation

HRID 171326 reaction equation
[C:64]=[O:65].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:62][OH:63].[CH3:66][N:67]([CH:68]=[O:69])[CH3:70].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([I:31])[cH:22][c:23]2-[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH2:71].[Pd+2:72].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([C:68]([O:63][CH3:62])=[O:69])[cH:22][c:23]2-[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 712FormaldehydeHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 23502817HCID 23502817, compound

Product 1

HCID 86584827HCID 86584827, compound

Sources & evidence

ORD record
ord-07674a789ada4348a516f898456330fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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