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

HRID 2321139Notes

Reaction equation

HRID 2321139 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([Cl:27])[c:22]([O:25][CH3:26])[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][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:55][CH2:56][OH:57].[Cs+:41].[Cs+:42].[OH2:58].[OH2:59].[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]([Cl:27])[c:22]([O:25][CH3:26])[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 962Water2×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 585795311-(3-Bromophenyl)-1-(3-chloro-4-methoxyphenyl)-4-fluoro-1H-isoindol-3-amine

Product 1

HCID 585795171-(3-Chloro-4-methoxyphenyl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

Sources & evidence

ORD record
ord-ef115a2ae1114c95b3bd22a82403826b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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