Acetate → HCID 54284903, compound

HRID 138866Notes

Reaction equation

HRID 138866 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:22]([CH:23]=[CH:24][CH3:25])(=[O:26])[O:27][CH2:28][CH3:29].[CH3:52][C:53]#[N:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[Pd+2:61].[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][c:36]1[P:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[CH3:51]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[cH:16][cH:17][c:18]([C:24](=[CH:23][C:22](=[O:26])[O:27][CH2:28][CH3:29])[CH3:25])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 121912-Butenoic acid, ethyl esterHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 183795571-Boc-4-(4-bromo-phenyl)-piperidin-4-ol

Product 1

HCID 54284903HCID 54284903, compound

Sources & evidence

ORD record
ord-f1ff928fb2304851b16514f8a7eeaf33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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