Acetic Acid → trans-6(4-dimethylaminocyclohexyloxy)-2H-isoquinolin-1-one

HRID 942037Notes

Reaction equation

HRID 942037 reaction equation
[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[CH2:25]=[O:26].[CH3:1][C:2](=[O:3])[OH:4].[CH3:41][C:42]#[N:43].[CH3:5][NH:6][CH:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[cH:15][c:16]3[cH:17][cH:18][nH:19][c:20](=[O:24])[c:21]3[cH:22][cH:23]2)[CH2:11][CH2:12]1.[Na+:40]>>[CH3:1][N:6]([CH3:5])[CH:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[cH:15][c:16]3[cH:17][cH:18][nH:19][c:20](=[O:24])[c:21]3[cH:22][cH:23]2)[CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 2724942TriacetoxyborohydrideHCID 59667338trans-6-(4-methylaminocyclohexyloxy)-2H-isoquinolin-1-one

Product 1

HCID 59667337trans-6(4-dimethylaminocyclohexyloxy)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-71642e3640e7476aa729ca375f1767ea
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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