Acetate → N-{1-[1-[(dimethylamino)sulfonyl]-4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-b]pyridin-7-yl)phenyl]ethyl}acetamide

HRID 184288Notes

Reaction equation

HRID 184288 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([c:10]2[n:11]([S:21](=[O:22])(=[O:23])[N:24]([CH3:25])[CH3:26])[cH:12][c:13]([CH2:15][C:16]([CH2:17][CH3:18])([CH3:19])[CH3:20])[n:14]2)[NH:27][C:28]([CH3:29])=[O:30])[cH:6][cH:7]1.[CH2:79]1[O:80][CH2:81][CH2:82][O:83][CH2:84]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:37][Si:38]([CH2:39][CH2:40][O:41][CH2:42][n:43]1[n:44][cH:45][c:46]2[c:47]1[NH:48][CH2:49][CH2:50][CH2:51]2)([CH3:52])[CH3:53].[CH:54]1([P:55]([CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2-[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[Na+:36].[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[OH2:85].[Pd+2:86]>>[c:2]1([N:48]2[c:47]3[n:43]([CH2:42][O:41][CH2:40][CH2:39][Si:38]([CH3:37])([CH3:52])[CH3:53])[n:44][cH:45][c:46]3[CH2:51][CH2:50][CH2:49]2)[cH:3][cH:4][c:5]([CH2:8][CH:9]([c:10]2[n:11]([S:21](=[O:22])(=[O:23])[N:24]([CH3:25])[CH3:26])[cH:12][c:13]([CH2:15][C:16]([CH2:17][CH3:18])([CH3:19])[CH3:20])[n:14]2)[NH:27][C:28]([CH3:29])=[O:30])[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 66705710N-{2-(4-bromophenyl)-1-[1-[(dimethylamino)sulfonyl]-4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl}acetamideHCID 1360276751-{[2-(trimethylsilyl)ethoxy]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 66705746N-{1-[1-[(dimethylamino)sulfonyl]-4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-b]pyridin-7-yl)phenyl]ethyl}acetamide

Sources & evidence

ORD record
ord-18c55fbc47c547dd821e217b50c0db43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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