2-Chloroethanol → 4-({Cyano[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}amino)benzonitrile

HRID 1215546Notes

Reaction equation

HRID 1215546 reaction equation
[C:1](#[N:2])[CH:3]([c:4]1[c:5]([F:13])[c:6]([OH:12])[cH:7][c:8]([O:10][CH3:11])[cH:9]1)[NH:14][c:15]1[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[I-:28].[K+:33].[K+:34].[Na+:27].[OH2:35].[OH:23][CH2:24][CH2:25][Cl:26]>>[C:1](#[N:2])[CH:3]([c:4]1[c:5]([F:13])[c:6]([O:12][CH2:25][CH2:24][OH:23])[cH:7][c:8]([O:10][CH3:11])[cH:9]1)[NH:14][c:15]1[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]1

Participants

10

Reactant 9

HCID 342-ChloroethanolHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 674699554-{[Cyano(2-fluoro-3-hydroxy-5-methoxyphenyl)methyl]amino}benzonitrile

Product 1

HCID 682128854-({Cyano[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}amino)benzonitrile

Sources & evidence

ORD record
ord-05b3fccc085e41c3bb99ba96af639bef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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