Acetate → HCID 66711984, compound

HRID 2126217Notes

Reaction equation

HRID 2126217 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:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH3:44][C:45]1([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50][B:51]([c:52]2[c:53]([O:54][CH2:55][C:56]#[N:57])[cH:58][cH:59][cH:60][cH:61]2)[O:62]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[Na+:63].[Na+:64].[O-:65][C:66](=[O:67])[O-:68].[OH2:69].[Pd+2:74].[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[c:53]([O:54][CH2:55][C:56]#[N:57])[cH:58][cH:59][cH:60][cH:61]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

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 17998915[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrileHCID 66711200(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 66711984HCID 66711984, compound

Sources & evidence

ORD record
ord-fd2a5f75e5654fd5bb30c8a1619c3b3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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