Acetate → HCID 54472235, compound

HRID 181461Notes

Reaction equation

HRID 181461 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][c:10]2[cH:11][c:12]([NH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[N+:23](=[O:24])[O-:25])[cH:13][cH:14][cH:15]2)[cH:5][n:6][cH:7]1.[C:34](=[O:35])([OH:36])[O-:37].[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:26](=[CH2:27])[c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1.[Cl-:39].[Na+:38].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[Pd+2:62]>>[c:2]1([CH:27]=[CH:26][c:28]2[cH:29][cH:30][n:31][cH:32][cH:33]2)[cH:3][c:4]([CH:8]=[CH:9][c:10]2[cH:11][c:12]([NH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[N+:23](=[O:24])[O-:25])[cH:13][cH:14][cH:15]2)[cH:5][n:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 75024-VinylpyridineHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 53794286HCID 53794286, compound

Product 1

HCID 54472235HCID 54472235, compound

Sources & evidence

ORD record
ord-7f3e7275b4b94b78b4034d66f969b9f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…