Acetate → HCID 57738060, compound

HRID 1561027Notes

Reaction equation

HRID 1561027 reaction equation
[Br-:61].[Br:17][c:18]1[cH:19][c:20]([N+:31](=[O:32])[O-:33])[c:21]([NH2:30])[c:22](-[c:24]2[n:25][cH:26][cH:27][cH:28][n:29]2)[cH:23]1.[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][N+:78]([CH3:79])([CH3:80])[CH3:81].[CH3:92][CH2:93][OH:94].[F:1][c:2]1[cH:3][n:4][cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[K+:39].[K+:40].[K+:41].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[OH2:91].[P:34]([O-:35])([O-:36])([O-:37])=[O:38].[Pd+2:82].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[F:1][c:2]1[cH:3][n:4][cH:5][c:6](-[c:18]2[cH:19][c:20]([N+:31](=[O:32])[O-:33])[c:21]([NH2:30])[c:22](-[c:24]3[n:25][cH:26][cH:27][cH:28][n:29]3)[cH:23]2)[cH:7]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 259Bromide ionHCID 702EthanolHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 2681CetyltrimethylammoniumHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 164142683-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 57566645HCID 57566645, compound

Product 1

HCID 57738060HCID 57738060, compound

Sources & evidence

ORD record
ord-884524baa15a4ae2aff5418b3c4c73d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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