Acetate → HCID 168312898, compound

HRID 193575Notes

Reaction equation

HRID 193575 reaction equation
[Br:33][c:34]1[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[NH2:43])[cH:38][cH:39]1.[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([NH:7][CH:8]([C:9]([F:10])([F:11])[F:12])[c:13]1[cH:14][cH:15][c:16]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:17][cH:18]1)[CH2:28][CH:29]([CH3:30])[CH3:31])=[O:32].[C:44](=[O:45])([O-:46])[O-:47].[CH2:69]([O:70][C:71](=[O:72])[CH3:73])[CH3:74].[CH2:85]([OH:86])[CH2:87][CH3:88].[Na+:48].[Na+:49].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[OH2:84].[Pd+2:75].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([NH:7][CH:8]([C:9]([F:10])([F:11])[F:12])[c:13]1[cH:14][cH:15][c:16](-[c:34]2[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[NH2:43])[cH:38][cH:39]2)[cH:17][cH:18]1)[CH2:28][CH:29]([CH3:30])[CH3:31])=[O:32]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 696964-BromobenzenesulfonamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178446299HCID 178446299, compound

Product 1

HCID 168312898HCID 168312898, compound

Sources & evidence

ORD record
ord-7fd18564b08c4d8187c87e416b505a2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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