Acetate → HCID 58456408, compound

HRID 1550109Notes

Reaction equation

HRID 1550109 reaction equation
[Br:26][c:27]1[cH:28][c:29]([NH:42][c:43]2[n:44][cH:45][cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[n:48]2)[cH:30][c:31]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:32]1.[Br:53][c:54]1[cH:55][n:56][cH:57][s:58]1.[CH2:1]([P:2]([C:3]12[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][CH:9]([CH2:10]3)[CH2:11]1)[CH2:12]2)[C:13]12[CH2:14][CH:15]3[CH2:16][CH:17]([CH2:18][CH:19]([CH2:20]3)[CH2:21]1)[CH2:22]2)[CH2:23][CH2:24][CH3:25].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[F-:59].[K+:60].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH2:81].[Pd+2:72]>>[Br:26][c:27]1[cH:28][c:29]([NH:42][c:43]2[n:44][cH:45][cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[n:48]2)[cH:30][c:31](-[c:54]2[cH:55][n:56][cH:57][s:58]2)[cH:32]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5460595-BromothiazoleHCID 11371790Bis(adamantan-1-yl)(butyl)phosphaneHCID 58456329N-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

Product 1

HCID 58456408HCID 58456408, compound

Sources & evidence

ORD record
ord-38f97fb991794eec95cb905f9740b842
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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