Acetate → [2-Methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-amine

HRID 164890Notes

Reaction equation

HRID 164890 reaction equation
[Br:26][c:27]1[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([NH:36][c:37]3[c:38]([O:50][CH3:51])[cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:34][n:35]12.[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:52][O:53][c:54]1[c:55]([B:60]([OH:61])[OH:62])[cH:56][cH:57][cH:58][cH:59]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Na+:68].[Na+:69].[O-:70][C:71](=[O:72])[O-:73].[OH2:74].[Pd+2:79].[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:27]1(-[c:55]2[c:54]([O:53][CH3:52])[cH:59][cH:58][cH:57][cH:56]2)[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([NH:36][c:37]3[c:38]([O:50][CH3:51])[cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:34][n:35]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 27339582-Methoxyphenylboronic acidHCID 66710919(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[2-methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 54577897[2-Methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-amine

Sources & evidence

ORD record
ord-86a6b3148d5a4db79354ba42dde4a6ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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