Acetate → HCID 86661695, compound

HRID 2336118Notes

Reaction equation

HRID 2336118 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:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH2:82]1[O:83][CH2:84][CH2:85][O:86][CH2:87]1.[CH3:44][C:45]1([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50][B:51]([c:52]2[cH:53][c:54]([CH:58]=[O:59])[cH:55][n:56][cH:57]2)[O:60]1.[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[OH2:67].[Pd+2:72].[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:52]2[cH:53][c:54]([CH:58]=[O:59])[cH:55][n:56][cH:57]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 49926405-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehydeHCID 66711200(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 86661695HCID 86661695, compound

Sources & evidence

ORD record
ord-d982013a935e41bbb133af03c5b58ce9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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