Hydrochloric Acid → 4-(1-methylpiperidin-4-yl)-2H-isoquinolin-1-one

HRID 90798Notes

Reaction equation

HRID 90798 reaction equation
[C:19]([O:20][BH-:21]([O:22][C:23](=[O:24])[CH3:25])[O:26][C:27](=[O:28])[CH3:29])(=[O:30])[CH3:31].[CH3:34][C:35]#[N:36].[ClH:1].[ClH:33].[NH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][nH:10][c:11](=[O:18])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[CH2:6][CH2:7]1.[Na+:32]>>[N:2]1([CH3:19])[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][nH:10][c:11](=[O:18])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 2724942TriacetoxyborohydrideHCID 104213114-piperidin-4-yl-2H-isoquinolin-1-one

Product 1

HCID 102434554-(1-methylpiperidin-4-yl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-272aac4688e94c808ba316a1c9febb2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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