Ethanol → 1-[3-(5-Fluoropyridin-3-yl)phenyl]-1-pyridin-4-yl-1H-isoindol-3-amine

HRID 2136338Notes

Reaction equation

HRID 2136338 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[N:9]=[C:10]([NH2:17])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1.[C:40](=[O:41])([O-:42])[O-:43].[CH2:46]([CH2:47][O:48][CH3:49])[O:50][CH3:51].[CH3:52][CH2:53][OH:54].[F:24][c:25]1[cH:26][n:27][cH:28][c:29]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:30]1.[K+:44].[K+:45].[OH2:55]>>[c:2]1(-[c:29]2[cH:28][n:27][cH:26][c:25]([F:24])[cH:30]2)[cH:3][c:4]([C:8]2([c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[N:9]=[C:10]([NH2:17])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 164142683-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 595962471-(3-Bromophenyl)-1-pyridin-4-yl-1H-isoindol-3-amine

Product 1

HCID 595962541-[3-(5-Fluoropyridin-3-yl)phenyl]-1-pyridin-4-yl-1H-isoindol-3-amine

Sources & evidence

ORD record
ord-b4147a22c0094ba797b4d3462c8f5445
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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