Acetate → HCID 54019290, compound

HRID 1125895Notes

Reaction equation

HRID 1125895 reaction equation
[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH2:40]([CH:41]=[CH2:42])[n:43]1[cH:44][n:45][cH:46][cH:47]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][c:11]([I:13])[cH:12]1.[Pd+2:55].[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][c:11]([CH:42]=[CH:41][CH2:40][n:43]2[cH:44][n:45][cH:46][cH:47]2)[cH:12]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 357941-Allyl-1H-imidazoleHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 13287888Ethyl 2-chloro-4-iodobenzoate

Product 1

HCID 54019290HCID 54019290, compound

Sources & evidence

ORD record
ord-9cced4584e1c40029bacde2e4869223a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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