Acetate → HCID 73024145, compound

HRID 1131876Notes

Reaction equation

HRID 1131876 reaction equation
[Br:33][c:34]1[cH:35][cH:36][c:37](-[c:40]2[o:41][c:42]([CH3:53])[c:43]([CH2:45][CH2:46][N:47]3[CH2:48][CH:49]([F:52])[CH2:50][CH2:51]3)[n:44]2)[cH:38][cH:39]1.[C:54](=[O:55])([O-:56])[O-:57].[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.[CH3:70][C:71]#[N:72].[K+:58].[K+:59].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[OH2:69].[Pd+2:60].[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]([CH3:53])[c:43]([CH2:45][CH2:46][N:47]4[CH2:48][CH:49]([F:52])[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 68704331HCID 68704331, compound

Product 1

HCID 73024145HCID 73024145, compound

Sources & evidence

ORD record
ord-2b02de49385845d5b92de49e297603e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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