Ethyl Acetate → tert-butyl3-{[4-chloro-3-(3-chloro-5-cyanophenoxy)-5-fluorophenoxy]methyl}-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

HRID 2320949Notes

Reaction equation

HRID 2320949 reaction equation
[Br:26][CH2:27][c:28]1[n:29][n:30]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[c:31]2[n:32][c:33]([F:37])[cH:34][cH:35][c:36]12.[C:20](=[O:21])([O-:22])[O-:23].[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12]([Cl:19])[c:13]([F:18])[cH:14][c:15]([OH:17])[cH:16]2)[cH:9]1.[Cs+:24].[Cs+:25]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12]([Cl:19])[c:13]([F:18])[cH:14][c:15]([O:17][CH2:27][c:28]3[n:29][n:30]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[c:31]4[n:32][c:33]([F:37])[cH:34][cH:35][c:36]34)[cH:16]2)[cH:9]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 25132591tert-butyl 3-(bromomethyl)-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylateHCID 445509693-Chloro-5-(2-chloro-3-fluoro-5-hydroxyphenoxy)benzonitrile

Product 1

HCID 44549123tert-butyl3-{[4-chloro-3-(3-chloro-5-cyanophenoxy)-5-fluorophenoxy]methyl}-6-fluoro-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

Sources & evidence

ORD record
ord-3764c1ed07104c7294a5976461eef88d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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