Acetate → N-{2-[2-Methylsulfanyl-5-(2-trimethylsilanyl-ethoxymethoxy)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-methanesulfonamide

HRID 2312258Notes

Reaction equation

HRID 2312258 reaction equation
[Br:20][c:21]1[cH:22][c:23]([O:32][CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:24]2[cH:25][n:26][c:27]([S:30][CH3:31])[n:28][n:29]12.[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH3:41][C:42]1([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47][B:48]([c:49]2[c:50]([NH:55][S:56](=[O:57])(=[O:58])[CH3:59])[cH:51][cH:52][cH:53][cH:54]2)[O:60]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:82][CH2:83][O:84][CH2:85][CH3:86].[Na+:66].[Na+:67].[O-:68][C:69](=[O:70])[O-:71].[OH2:72].[Pd+2:77].[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:49]2[c:50]([NH:55][S:56](=[O:57])(=[O:58])[CH3:59])[cH:51][cH:52][cH:53][cH:54]2)[cH:22][c:23]([O:32][CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:24]2[cH:25][n:26][c:27]([S:30][CH3:31])[n:28][n:29]12

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 43565252-(Methanesulfonylamino)phenylboronic acid pinacol esterHCID 667122877-Bromo-2-methylsulfanyl-5-(2-trimethylsilanyl-ethoxymethoxy)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 66712259N-{2-[2-Methylsulfanyl-5-(2-trimethylsilanyl-ethoxymethoxy)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-methanesulfonamide

Sources & evidence

ORD record
ord-f1525d7dedee4bbb83fa66788900691d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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