Acetate → HCID 178465213, compound

HRID 180116Notes

Reaction equation

HRID 180116 reaction equation
[C:79]([O-:80])(=[O:81])[CH3:82].[C:84]([O-:85])(=[O:86])[CH3:87].[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].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:76][C:77]#[N:78].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[F:54][c:55]1[cH:56][c:57]([Br:68])[cH:58][cH:59][c:60]1[O:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Pd+2:83]>>[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]([F:54])[c:60]([O:61][c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:59][cH:58]1)([CH3:52])[CH3:53]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 18319195Tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hex-5-enoateHCID 227363164-Bromo-2-fluoro-1-phenoxybenzene

Product 1

HCID 178465213HCID 178465213, compound

Sources & evidence

ORD record
ord-eecd7539dd504c818eb8b47fb343b431
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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