Acetate → 7-(2-Methoxy-phenyl)-2-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazine

HRID 210653Notes

Reaction equation

HRID 210653 reaction equation
[Br:26][c:27]1[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([S:36][CH3:37])[n:34][n:35]12.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:38][O:39][c:40]1[c:41]([B:46]([OH:47])[OH:48])[cH:42][cH:43][cH:44][cH:45]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[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:27]1(-[c:41]2[c:40]([O:39][CH3:38])[cH:45][cH:44][cH:43][cH:42]2)[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([S:36][CH3:37])[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 574161287-Bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 667115487-(2-Methoxy-phenyl)-2-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazine

Sources & evidence

ORD record
ord-45eb2bd94ba5480e83f368a3ba08eda1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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