Acetate → HCID 86655697, compound

HRID 673908Notes

Reaction equation

HRID 673908 reaction equation
[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH3:66][C:67]([CH3:68])([O-:69])[CH3:70].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH:16]1([NH2:19])[CH2:17][CH2:18]1.[F:1][C:2]([c:3]1[cH:4][c:5]([Br:13])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15].[Na+:71].[OH2:79].[Pd+2:84].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:19][CH:16]2[CH2:17][CH2:18]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 676021-Bromo-3,5-bis(trifluoromethyl)benzeneHCID 69828CyclopropylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olate

Product 1

HCID 86655697HCID 86655697, compound

Sources & evidence

ORD record
ord-b1657d8024c040099a71d4485d1a1029
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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