Acetate → HCID 178493131, compound

HRID 169715Notes

Reaction equation

HRID 169715 reaction equation
[Br:33][c:34]1[cH:35][cH:36][c:37](-[c:40]2[o:41][c:42]([CH3:54])[c:43]([CH2:45][CH2:46][N:47]3[CH2:48][CH:49]([O:52][CH3:53])[CH2:50][CH2:51]3)[n:44]2)[cH:38][cH:39]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[CH3:71][C:72]#[N:73].[K+:59].[K+:60].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:70].[Pd+2:61].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27](-[c:34]2[cH:35][cH:36][c:37](-[c:40]3[o:41][c:42]([CH3:54])[c:43]([CH2:45][CH2:46][N:47]4[CH2:48][CH:49]([O:52][CH3:53])[CH2:50][CH2:51]4)[n:44]3)[cH:38][cH:39]2)[cH:28][cH:29]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 178493130HCID 178493130, compound

Product 1

HCID 178493131HCID 178493131, compound

Sources & evidence

ORD record
ord-33050ad1e1904f3db6ebd8b1d933228f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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