Acetate → HCID 68504904, compound

HRID 696726Notes

Reaction equation

HRID 696726 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH3:12])[CH3:13])[cH:6][cH:7]1.[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[K+:29].[K+:30].[K+:31].[NH2:14][c:15]1[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1.[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[Pd+2:57]>>[c:2]1(-[c:18]2[cH:17][cH:16][c:15]([NH2:14])[cH:20][cH:19]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH3:12])[CH3:13])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 128184-Bromo-N,N-dimethylbenzenesulphonamideHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 27346154-Aminophenylboronic acid

Product 1

HCID 68504904HCID 68504904, compound

Sources & evidence

ORD record
ord-89e89a77f2db46cc906c3e774bd511c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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