Acetate → HCID 22676838, compound

HRID 1561771Notes

Reaction equation

HRID 1561771 reaction equation
[Br-:52].[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22]([C:47](=[O:48])[O:49][CH2:50][CH3:51])[n:23]([CH2:38][c:39]3[cH:40][c:41]([O:45][CH3:46])[cH:42][cH:43][cH:44]3)[c:24]3[cH:25][cH:26][c:27]([O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])[cH:28][c:29]23)[cH:19][cH:20]1.[C:81]([O-:82])(=[O:83])[CH3:84].[C:86]([O-:87])(=[O:88])[CH3:89].[CH2:1]1[CH2:2][CH:3]=[CH:4][CH2:5]1.[CH3:53][CH2:54][CH2:55][CH2:56][N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH3:7][C:8](=[O:9])[O-:10].[K+:6].[Pd+2:85]>>[CH2:1]1[CH2:2][CH:3]([c:27]2[cH:26][cH:25][c:24]3[n:23]([CH2:38][c:39]4[cH:40][c:41]([O:45][CH3:46])[cH:42][cH:43][cH:44]4)[c:22]([C:47](=[O:48])[O:49][CH2:50][CH3:51])[c:21](-[c:18]4[cH:17][cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:20][cH:19]4)[c:29]3[cH:28]2)[CH:4]=[CH:5]1

Participants

10

Reactant 9

HCID 175Acetate3×HCID 259Bromide ionHCID 813Potassium CationHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 8882CyclopenteneHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 22676791HCID 22676791, compound

Product 1

HCID 22676838HCID 22676838, compound

Sources & evidence

ORD record
ord-e714a0be5b6d4381ad39e65681d73d7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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