Ethanol → (5-(3-Amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-1-yl)-2-methoxy-3-methylphenyl)methanol

HRID 199103Notes

Reaction equation

HRID 199103 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:51][CH2:52][OH:53].[Cs+:43].[Cs+:44].[NH2:1][C:2]1=[N:3][C:4]([c:12]2[cH:13][c:14]([Br:18])[cH:15][cH:16][cH:17]2)([c:19]2[cH:20][c:21]([CH3:29])[c:22]([O:27][CH3:28])[c:23]([CH2:25][OH:26])[cH:24]2)[c:5]2[cH:6][cH:7][cH:8][c:9]([F:11])[c:10]21.[OH2:54].[n:30]1[cH:31][n:32][cH:33][c:34]([B:36]([OH:37])[OH:38])[cH:35]1>>[NH2:1][C:2]1=[N:3][C:4]([c:12]2[cH:13][c:14](-[c:34]3[cH:33][n:32][cH:31][n:30][cH:35]3)[cH:15][cH:16][cH:17]2)([c:19]2[cH:20][c:21]([CH3:29])[c:22]([O:27][CH3:28])[c:23]([CH2:25][OH:26])[cH:24]2)[c:5]2[cH:6][cH:7][cH:8][c:9]([F:11])[c:10]21

Participants

8

Reactant 7

HCID 702EthanolHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 58579488(5-(3-Amino-1-(3-bromophenyl)-4-fluoro-1H-isoindol-1-yl)-2-methoxy-3-methylphenyl)methanol

Product 1

HCID 58579497(5-(3-Amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-1-yl)-2-methoxy-3-methylphenyl)methanol

Sources & evidence

ORD record
ord-ab5fd857aa7c42eb9ce2cdb206636431
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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