Dimethyl Sulfoxide → 6-[4-(t-butoxycarbonyl)piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

HRID 183423Notes

Reaction equation

HRID 183423 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:27][S:28](=[O:29])[CH3:30].[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][CH2:6][CH2:5]2.[OH2:26]>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][CH2:6][CH2:5]2

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 143452tert-Butyl piperazine-1-carboxylateHCID 107257096-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-one

Product 1

HCID 221805436-[4-(t-butoxycarbonyl)piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-45ef84d9cb6742c796d7a83e5cb28a53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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