Ethanol → N-(4-Fluorophenyl)-1-(2-methyl-4-(methylsulfonyl)phenyl)phthalazin-6-amine

HRID 698548Notes

Reaction equation

HRID 698548 reaction equation
[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[c:29]([CH3:38])[cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]2)[O:39]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:58][CH2:59][OH:60].[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[cH:9][cH:10][c:11]12.[Na+:40].[Na+:41].[Na+:56].[O-:42][C:43](=[O:44])[O-:45].[O-:52][C:53]([OH:54])=[O:55].[OH2:57]>>[c:2]1(-[c:28]2[c:29]([CH3:38])[cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]2)[n:3][n:4][cH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[cH:9][cH:10][c:11]12

Participants

9

Reactant 8

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 597260324,4,5,5-Tetramethyl-2-(2-methyl-4-(methylsulfonyl)phenyl)-1,3,2-dioxaborolaneHCID 866620921-Chloro-N-(4-fluorophenyl)phthalazin-6-amine

Product 1

HCID 45280074N-(4-Fluorophenyl)-1-(2-methyl-4-(methylsulfonyl)phenyl)phthalazin-6-amine

Sources & evidence

ORD record
ord-6a7c7208e9d144e880217b12fd479e8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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