1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopentanecarbonitrile → 1-(4-(5-Amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)phenyl)cyclopentanecarbonitrile

HRID 2323625Notes

Reaction equation

HRID 2323625 reaction equation
[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([C:15]3([C:20]#[N:21])[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:13][cH:14]2)[O:22]1.[NH2:23][c:24]1[c:25](-[c:31]2[cH:32][c:33]3[c:38]([cH:39][cH:40]2)[C:37](=[O:41])[NH:36][CH2:35][CH2:34]3)[n:26][c:27]([Br:30])[cH:28][n:29]1>>[c:9]1(-[c:27]2[n:26][c:25](-[c:31]3[cH:32][c:33]4[c:38]([cH:39][cH:40]3)[C:37](=[O:41])[NH:36][CH2:35][CH2:34]4)[c:24]([NH2:23])[n:29][cH:28]2)[cH:10][cH:11][c:12]([C:15]2([C:20]#[N:21])[CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:13][cH:14]1

Participants

3

Reactant 2

HCID 706550061-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopentanecarbonitrileHCID 866702106-(3-amino-6-bromopyrazin-2-yl)-3,4-dihydroisoquinolin-1(2H)-one

Product 1

HCID 706547561-(4-(5-Amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)phenyl)cyclopentanecarbonitrile

Sources & evidence

ORD record
ord-6557b5fc91064eeda840845ff0c2f5ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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