1-Butanol → 2-{4-[5-Amino-6-(1-oxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-pyrazin-2-yl]-phenyl}-2-methyl-propionitrile

HRID 317469Notes

Reaction equation

HRID 317469 reaction equation
[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([B:12]([OH:13])[OH:14])[cH:10][cH:11]1.[CH2:34]([OH:35])[CH2:36][CH2:37][CH3:38].[NH2:15][c:16]1[c:17](-[c:23]2[cH:24][c:25]3[c:30]([cH:31][cH:32]2)[C:29](=[O:33])[NH:28][CH2:27][CH2:26]3)[n:18][c:19]([Br:22])[cH:20][n:21]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:19]2[n:18][c:17](-[c:23]3[cH:24][c:25]4[c:30]([cH:31][cH:32]3)[C:29](=[O:33])[NH:28][CH2:27][CH2:26]4)[c:16]([NH2:15])[n:21][cH:20]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 2631-ButanolHCID 441193244-(2-Cyanoprop-2-yl)benzeneboronic acidHCID 866702106-(3-amino-6-bromopyrazin-2-yl)-3,4-dihydroisoquinolin-1(2H)-one

Product 1

HCID 706544952-{4-[5-Amino-6-(1-oxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-pyrazin-2-yl]-phenyl}-2-methyl-propionitrile

Sources & evidence

ORD record
ord-910bc3d92e0944f0a122943953cb5b80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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