Acetate → 3-(2,2-Dimethyl-propyl)-5-(4-fluoro-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-ylamine

HRID 1555776Notes

Reaction equation

HRID 1555776 reaction equation
[Br-:8].[Br:9][c:10]1[cH:11][cH:12][c:13]2[c:14]([n:15]1)[n:16]([CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:17]([NH3+:19])[n:18]2.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:53][CH2:54][OH:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cu:72][I:73].[F:44][c:45]1[cH:46][cH:47][c:48]([C:51]#[CH:52])[cH:49][cH:50]1.[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[Pd+2:63].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:10]1([CH2:52][CH2:51][c:48]2[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]2)[cH:11][cH:12][c:13]2[c:14]([n:15]1)[n:16]([CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:17]([NH2:19])[n:18]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 259Bromide ionHCID 702EthanolHCID 1140TolueneHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5226271-Ethynyl-4-fluorobenzeneHCID 178446124HCID 178446124, compound

Product 1

HCID 688682873-(2,2-Dimethyl-propyl)-5-(4-fluoro-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-ylamine

Sources & evidence

ORD record
ord-16351d278a8143b7bdf3ac13a863a8ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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