Acetate → HCID 57556030, compound

HRID 1538952Notes

Reaction equation

HRID 1538952 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1.[C:77](=[O:78])([OH:79])[O-:80].[C:89]([O-:90])(=[O:91])[CH3:92].[C:94]([O-:95])(=[O:96])[CH3:97].[CH3:71][C:72]([CH3:73])([O-:74])[CH3:75].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[F:9][C:10]([c:11]1[cH:12][c:13]([CH2:14][NH2:15])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)([F:23])[F:24].[Na+:76].[Na+:81].[Pd+2:93].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[c:42]2-[c:43]2[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[cH:50][cH:51][c:52]2[P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[c:2]1([NH:15][CH2:14][c:13]2[cH:12][c:11]([C:10]([F:9])([F:23])[F:24])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16]2)[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 693532,5-DibromopyridineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5210993,5-Bis(trifluoromethyl)benzylamineHCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olate

Product 1

HCID 57556030HCID 57556030, compound

Sources & evidence

ORD record
ord-fe6bba3daf82492a83e8cab11786ddcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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