Acetate → 1248478-93-4

HRID 149952Notes

Reaction equation

HRID 149952 reaction equation
[Br:1][c:2]1[c:3]([F:8])[cH:4][cH:5][cH:6][cH:7]1.[CH3:16][C:17]([CH3:18])([O-:19])[CH3:20].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:9][CH:10]1[NH:11][CH2:12][CH2:13][NH:14][CH2:15]1.[Na+:21].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[Pd+2:75].[cH:22]1[cH:23][cH:24][c:25]([P:26]([c:27]2[cH:28][cH:29][c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[c:36]2-[c:37]2[c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[cH:44][cH:45][c:46]2[P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[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]1>>[c:2]1([N:14]2[CH2:13][CH2:12][NH:11][CH:10]([CH3:9])[CH2:15]2)[c:3]([F:8])[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 612591-Bromo-2-fluorobenzeneHCID 660572-MethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olate

Product 1

HCID 626699101248478-93-4

Sources & evidence

ORD record
ord-7f7661b4347745c08270909a29aa3a2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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