Potassium Cation → 4-Cyano-3-[5-methoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-benzoic acid methyl ester

HRID 96341Notes

Reaction equation

HRID 96341 reaction equation
[Br:1][c:2]1[c:3]2[c:4]([cH:5][n:6][c:7]1[O:8][CH3:9])[n:10]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:11][cH:12]2.[C:21]([O:22][C:23]([n:24]1[c:25]2[cH:26][n:27][cH:28][c:29](-[c:37]3[c:38]([C:47]#[N:48])[cH:39][cH:40][c:41]([C:43](=[O:44])[O:45][CH3:46])[cH:42]3)[c:30]2[cH:31][cH:32]1)=[O:33])([CH3:34])([CH3:35])[CH3:36].[C:66]([P:67]([C:68]([CH3:69])([CH3:70])[CH3:71])[c:72]1[cH:73][cH:74][c:75]([N:76]([CH3:77])[CH3:78])[cH:79][cH:80]1)([CH3:81])([CH3:82])[CH3:83].[C:84]([P:85]([C:86]([CH3:87])([CH3:88])[CH3:89])[c:90]1[cH:91][cH:92][c:93]([N:94]([CH3:95])[CH3:96])[cH:97][cH:98]1)([CH3:99])([CH3:100])[CH3:101].[Cl:63][Pd:64][Cl:65].[K+:54].[K+:55].[K+:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:102].[P:49]([O-:50])([O-:51])([O-:52])=[O:53]>>[c:2]1(-[c:37]2[c:38]([C:47]#[N:48])[cH:39][cH:40][c:41]([C:43](=[O:44])[O:45][CH3:46])[cH:42]2)[c:3]2[c:4]([cH:5][n:6][c:7]1[O:8][CH3:9])[n:10]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:11][cH:12]2

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 11714598(4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphine2×HCID 665997094-Bromo-5-methoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-c]pyridineHCID 672864874-(2-Cyano-5-methoxycarbonyl-phenyl)-pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester

Product 1

HCID 665995454-Cyano-3-[5-methoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-benzoic acid methyl ester

Sources & evidence

ORD record
ord-3ca03b9f8ee74ec48880f7f907e2191c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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