Acetate → HCID 53928151, compound

HRID 162778Notes

Reaction equation

HRID 162778 reaction equation
[C:29]([CH2:30][CH2:31][CH:32]=[CH2:33])(=[O:34])[OH:35].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:58][C:59]#[N:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[I:1][c:2]1[n:3]([CH2:18][c:19]2[cH:20][cH:21][cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:4][c:5]2[n:6]([CH2:14][CH:15]([CH3:16])[CH3:17])[c:7](=[O:13])[n:8]([CH3:12])[c:9](=[O:11])[c:10]12.[Pd+2:72].[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][c:42]1[P:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57]>>[c:2]1([CH2:33][CH:32]=[CH:31][CH2:30][C:29](=[O:34])[OH:35])[n:3]([CH2:18][c:19]2[cH:20][cH:21][cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:4][c:5]2[n:6]([CH2:14][CH:15]([CH3:16])[CH3:17])[c:7](=[O:13])[n:8]([CH3:12])[c:9](=[O:11])[c:10]12

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 611384-Pentenoic acidHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 18362930HCID 18362930, compound

Product 1

HCID 53928151HCID 53928151, compound

Sources & evidence

ORD record
ord-1b6c7988fe5542db9320b90cebcc3687
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…