Acetate → HCID 25132330, compound

HRID 118613Notes

Reaction equation

HRID 118613 reaction equation
[C:56](=[O:57])([O-:58])[O-:59].[CH2:62]1[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]1.[CH3:1][C:2]1([CH3:30])[O:3][CH2:4][CH:5]([CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]2[cH:13][c:14]3[c:15]([cH:16][n:17][cH:18][cH:19]3)[n:20]2[CH2:21][c:22]2[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]2)[O:6]1.[CH3:31][Si:32]([CH3:33])([CH3:34])[C:35]#[CH:36].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:74][OH:75].[K+:60].[K+:61].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:1][C:2]1([CH3:30])[O:3][CH2:4][CH:5]([CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]2[cH:13][c:14]3[c:15]([cH:16][n:17][cH:18][cH:19]3)[n:20]2[CH2:21][c:22]2[c:23]([F:29])[cH:24][c:25]([C:35]#[CH:36])[cH:26][cH:27]2)[O:6]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 887MethanolHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66111TrimethylsilylacetyleneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178431456HCID 178431456, compound

Product 1

HCID 25132330HCID 25132330, compound

Sources & evidence

ORD record
ord-009554e39e6643fda3617caea88bec8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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