Potassium Cation → 1H-Benzimidazole-5-carboxylic acid, 2-[[5-bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]amino]-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl ester

HRID 210360Notes

Reaction equation

HRID 210360 reaction equation
[Br:30][c:31]1[cH:32][c:33]2[c:34]([I:48])[n:35][n:36]([CH2:40][O:41][CH2:42][CH2:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[c:37]2[cH:38][cH:39]1.[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[K+:60].[K+:61].[K+:62].[NH2:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][CH:10]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12]1)[cH:21][cH:22][c:23]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:24]2.[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[P:55]([O-:56])([O-:57])([O-:58])=[O:59].[Pd:63].[Pd:64]>>[NH:1]([c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][CH:10]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12]1)[cH:21][cH:22][c:23]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:24]2)[c:34]1[c:33]2[cH:32][c:31]([Br:30])[cH:39][cH:38][c:37]2[n:36]([CH2:40][O:41][CH2:42][CH2:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[n:35]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 583172565-Bromo-3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazoleHCID 672546811H-Benzimidazole-5-carboxylic acid, 2-amino-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl ester

Product 1

HCID 672544601H-Benzimidazole-5-carboxylic acid, 2-[[5-bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]amino]-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl ester

Sources & evidence

ORD record
ord-0e19ff0e9c1f453d885ba75a4c1dbc13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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