Acetate → {4-[1-(4-Fluoro-phenyl)-1H-indol-5-yloxy]-butyl}-methyl-pyridin-4-yl-amine

HRID 663135Notes

Reaction equation

HRID 663135 reaction equation
[Br:56][c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[CH3:49][C:50]([CH3:51])([O-:52])[CH3:53].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[ClH:55].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][NH:22][CH3:23])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[Na+:54].[Na+:64].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH-:63].[Pd+2:72]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH3:23])[c:57]4[cH:58][cH:59][n:60][cH:61][cH:62]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 1140TolueneHCID 142684-BromopyridineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 18679487{4-[1-(4-Fluoro-phenyl)-1H-indol-5-yloxy]-butyl}-methylamine

Product 1

HCID 10178422{4-[1-(4-Fluoro-phenyl)-1H-indol-5-yloxy]-butyl}-methyl-pyridin-4-yl-amine

Sources & evidence

ORD record
ord-74c80ac40b03440caa40a2bffb3d7626
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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