Ethanol → 1-(2-Cyclopropylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

HRID 149696Notes

Reaction equation

HRID 149696 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH:25]4[CH2:26][CH2:27]4)[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:49][CH2:50][OH:51].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cs+:41].[Cs+:42].[OH2:52].[n:28]1[cH:29][n:30][cH:31][c:32]([B:34]([OH:35])[OH:36])[cH:33]1>>[c:2]1(-[c:32]2[cH:31][n:30][cH:29][n:28][cH:33]2)[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH:25]4[CH2:26][CH2:27]4)[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 593275531-(3-Bromophenyl)-1-(2-cyclopropylpyridin-4-yl)-4-fluoro-1H-isoindol-3-amine

Product 1

HCID 462020811-(2-Cyclopropylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

Sources & evidence

ORD record
ord-3ac4e30c3dd44d159dcaba8a5eece5fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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