Acetate → HCID 131730545, compound

HRID 1548548Notes

Reaction equation

HRID 1548548 reaction equation
[Br:20][c:21]1[cH:22][c:23](-[c:31]2[cH:32][c:33]([C:37]([O:38][SiH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45])[cH:34][cH:35][cH:36]2)[n:24]2[n:25][cH:26][n:27][c:28]([NH2:30])[c:29]12.[C:71](=[O:72])([O-:73])[O-:74].[CH2:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[n:53]1[n:54][c:55]2[cH:56][c:57]([B:62]3[O:63][C:64]([CH3:65])([CH3:66])[C:67]([CH3:68])([CH3:69])[O:70]3)[cH:58][cH:59][c:60]2[cH:61]1.[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Na+:75].[Na+:76].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[O:86]1[CH2:87][CH2:88][O:89][CH2:90][CH2:91]1.[Pd+2:77].[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>>[c:21]1(-[c:57]2[cH:56][c:55]3[n:54][n:53]([CH2:46][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[cH:61][c:60]3[cH:59][cH:58]2)[cH:22][c:23](-[c:31]2[cH:32][c:33]([C:37]([O:38][SiH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45])[cH:34][cH:35][cH:36]2)[n:24]2[n:25][cH:26][n:27][c:28]([NH2:30])[c:29]12

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 1140TolueneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 585293132-benzyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-IndazoleHCID 131730546HCID 131730546, compound

Product 1

HCID 131730545HCID 131730545, compound

Sources & evidence

ORD record
ord-3d30303a8a814e9c9bbf22374417bba9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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