Acetate → HCID 46851380, compound

HRID 1553522Notes

Reaction equation

HRID 1553522 reaction equation
[Br:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([NH:30][c:31]3[cH:32][cH:33][c:34]([N:37]4[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]4)[cH:35][cH:36]3)[n:28][n:29]12.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:75]1[O:76][CH2:77][CH2:78][O:79][CH2:80]1.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:44](=[O:45])[c:46]1[o:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]1.[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[OH2:60].[Pd+2:65].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:21]1(-[c:48]2[o:47][c:46]([CH:44]=[O:45])[cH:50][cH:49]2)[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([NH:30][c:31]3[cH:32][cH:33][c:34]([N:37]4[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]4)[cH:35][cH:36]3)[n:28][n:29]12

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343555-Formylfuran-2-boronic acidHCID 66711200(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 46851380HCID 46851380, compound

Sources & evidence

ORD record
ord-e665c02f9d7a4557b06e571daff0f43e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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