Acetate → HCID 178424947, compound

HRID 181790Notes

Reaction equation

HRID 181790 reaction equation
[C:78]([O-:79])(=[O:80])[CH3:81].[C:83]([O-:84])(=[O:85])[CH3:86].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22].[CH3:23][C:24]([CH:25]([C:26](=[O:27])[NH:28][CH:29]([CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH:37][C:38](=[O:39])[CH:40]([CH2:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:49][CH:50]=[CH2:51])([CH3:52])[CH3:53].[CH3:54][c:55]1[cH:56][c:57]([Br:67])[cH:58][cH:59][c:60]1-[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[CH3:75][C:76]#[N:77].[Pd+2:82]>>[CH3:23][C:24]([CH:25]([C:26](=[O:27])[NH:28][CH:29]([CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH:37][C:38](=[O:39])[CH:40]([CH2:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:49][CH:50]=[CH:51][c:57]1[cH:56][c:55]([CH3:54])[c:60](-[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:59][cH:58]1)([CH3:52])[CH3:53]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 99648454-Bromo-2-methylbiphenylHCID 18319195Tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hex-5-enoate

Product 1

HCID 178424947HCID 178424947, compound

Sources & evidence

ORD record
ord-b53639f41b2946a698ff66a1c1eec32b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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