Acetate → HCID 58843098, compound

HRID 676067Notes

Reaction equation

HRID 676067 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:9]2[cH:10][cH:11][c:12]([Br:15])[cH:13][c:14]12)=[O:25].[CH3:69][O:70][CH2:71][CH2:72][O:73][CH3:74].[K+:53].[K+:54].[O-:55][C:56]([O-:57])=[O:58].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[OH2:68].[Pd+2:59].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[s:26]1[cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:9]2[cH:10][cH:11][c:12](-[c:28]3[cH:27][s:26][cH:30][cH:29]3)[cH:13][c:14]12)=[O:25]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 581760Thiophene-3-boronic acidHCID 58843093HCID 58843093, compound

Product 1

HCID 58843098HCID 58843098, compound

Sources & evidence

ORD record
ord-0df4cb5f1736426c9d8fde59bab7a04d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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