Acetate → HCID 22465129, compound

HRID 676883Notes

Reaction equation

HRID 676883 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][n:7](-[c:9]3[c:10]([OH:32])[c:11]([C:23]([CH3:24])([CH3:25])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:12][c:13]([C:15]([CH3:16])([CH3:17])[CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:14]3)[n:8]2)[cH:33][cH:34]1.[C:68]([O-:69])(=[O:70])[CH3:71].[C:72]([O-:73])(=[O:74])[CH3:75].[CH2:78]([OH:79])[CH2:80][CH3:81].[Na+:62].[Na+:63].[O-:64][C:65](=[O:66])[O-:67].[OH2:77].[Pd+2:76].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[s:35]1[cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1>>[c:2]1(-[c:37]2[cH:36][s:35][cH:39][cH:38]2)[cH:3][c:4]2[c:5]([n:6][n:7](-[c:9]3[c:10]([OH:32])[c:11]([C:23]([CH3:24])([CH3:25])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:12][c:13]([C:15]([CH3:16])([CH3:17])[CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:14]3)[n:8]2)[cH:33][cH:34]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 581760Thiophene-3-boronic acidHCID 11306934HCID 11306934, compound

Product 1

HCID 22465129HCID 22465129, compound

Sources & evidence

ORD record
ord-21bd96427b5c4b6293b40ef8cb3dc352
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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