Acetate → 4-(2,2-dimethylpropyl)-N,N-dimethyl-2-{[4-(1-{[2-(trimethylsilyl)-ethoxy]methyl}-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-b]pyridin-7-yl)phenyl]acetyl}-1H-imidazole-1-sulfonamide

HRID 1126380Notes

Reaction equation

HRID 1126380 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[c:11]2[n:12]([S:21](=[O:22])(=[O:23])[N:24]([CH3:25])[CH3:26])[cH:13][c:14]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[n:15]2)[cH:6][cH:7]1.[CH2:75]1[O:76][CH2:77][CH2:78][O:79][CH2:80]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][Si:34]([CH2:35][CH2:36][O:37][CH2:38][n:39]1[n:40][cH:41][c:42]2[c:43]1[NH:44][CH2:45][CH2:46][CH2:47]2)([CH3:48])[CH3:49].[CH:50]1([P:51]([CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2-[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[Na+:32].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[OH2:81].[Pd+2:82]>>[c:2]1([N:44]2[c:43]3[n:39]([CH2:38][O:37][CH2:36][CH2:35][Si:34]([CH3:33])([CH3:48])[CH3:49])[n:40][cH:41][c:42]3[CH2:47][CH2:46][CH2:45]2)[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[c:11]2[n:12]([S:21](=[O:22])(=[O:23])[N:24]([CH3:25])[CH3:26])[cH:13][c:14]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[n:15]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 591403972-[(4-bromophenyl)acetyl]-4-(2,2-dimethylpropyl)-N,N-dimethyl-1H-imidazole-1-sulfonamideHCID 1360276751-{[2-(trimethylsilyl)ethoxy]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 667056514-(2,2-dimethylpropyl)-N,N-dimethyl-2-{[4-(1-{[2-(trimethylsilyl)-ethoxy]methyl}-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-b]pyridin-7-yl)phenyl]acetyl}-1H-imidazole-1-sulfonamide

Sources & evidence

ORD record
ord-7539444ea2624f98bb258334004892aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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