Methanol → 3-(2-Chloro-4-ethynyl-phenylamino)-N-(2,3-dihydroxy-propoxy)isonicotinamide

HRID 205903Notes

Reaction equation

HRID 205903 reaction equation
[CH3:30][Si:31]([CH3:32])([CH3:33])[C:34]#[CH:35].[CH3:36][OH:37].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][O:15][CH2:16][CH:17]([CH2:18][OH:19])[OH:20])[cH:21][cH:22][n:23][cH:24]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[Cu:79][I:80].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][O:15][CH2:16][CH:17]([CH2:18][OH:19])[OH:20])[cH:21][cH:22][n:23][cH:24]2)[cH:4][cH:5][c:6]([C:34]#[CH:35])[cH:7]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 178523989HCID 178523989, compound

Product 1

HCID 116102133-(2-Chloro-4-ethynyl-phenylamino)-N-(2,3-dihydroxy-propoxy)isonicotinamide

Sources & evidence

ORD record
ord-62a8007391294d5080dc014128d65267
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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