Sodium ion → 4-[2-(4-Methoxy-benzyl)-7-methyl-1-oxo-1,2-dihydro-isoquinolin-6-yloxy]-piperidine-1-carboxylic acid tert-butyl ester

HRID 122470Notes

Reaction equation

HRID 122470 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]1.[CH3:40][C:41]([N:42]([CH3:43])[CH3:44])=[O:45].[F:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][n:23]([CH2:30][c:31]3[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]3)[c:24](=[O:29])[c:25]2[cH:26][c:27]1[CH3:28].[H-:15].[Na+:16].[OH2:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:18]2[cH:19][c:20]3[cH:21][cH:22][n:23]([CH2:30][c:31]4[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]4)[c:24](=[O:29])[c:25]3[cH:26][c:27]2[CH3:28])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 31374DimethylacetamideHCID 166653HydrideHCID 643502Tert-butyl 4-hydroxypiperidine-1-carboxylateHCID 592260436-fluoro-2-(4-methoxybenzyl)-7-methylisoquinolin-1(2H)-one

Product 1

HCID 674579744-[2-(4-Methoxy-benzyl)-7-methyl-1-oxo-1,2-dihydro-isoquinolin-6-yloxy]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-424583877025419c997c307928cbb281
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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