Acetate → HCID 135998255, compound

HRID 286695Notes

Reaction equation

HRID 286695 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[c:7]([CH3:23])[cH:8][n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1.[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]2)[O:39]1.[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46].[Pd+2:52]>>[c:2]1(-[c:32]2[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]2)[cH:3][n:4][c:5]2[n:6]1[c:7]([CH3:23])[cH:8][n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27346244-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 58337113HCID 58337113, compound

Product 1

HCID 135998255HCID 135998255, compound

Sources & evidence

ORD record
ord-6a7b743b52cc4b4a8cea5821b1713fcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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