Water → 5,6,7,8-Tetrahydro-1-methyl-7-(4-pyridinyl)-3(2h)-isoquinolinone

HRID 1214396Notes

Reaction equation

HRID 1214396 reaction equation
[C:1](#[N:2])[c:3]1[c:4](=[O:20])[nH:5][c:6]([CH3:19])[c:7]2[c:12]1[CH2:11][CH2:10][CH:9]([c:13]1[cH:14][cH:15][n:16][cH:17][cH:18]1)[CH2:8]2.[OH2:21].[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[cH:3]1[c:4](=[O:20])[nH:5][c:6]([CH3:19])[c:7]2[c:12]1[CH2:11][CH2:10][CH:9]([c:13]1[cH:14][cH:15][n:16][cH:17][cH:18]1)[CH2:8]2

Participants

4

Reactant 3

HCID 962WaterHCID 1118Sulfuric AcidHCID 136327302,3,5,6,7,8-Hexahydro-1-methyl-3-oxo-7-(4-pyridinyl)-4-isoquinolinecarbonitrile

Product 1

HCID 137720565,6,7,8-Tetrahydro-1-methyl-7-(4-pyridinyl)-3(2h)-isoquinolinone

Sources & evidence

ORD record
ord-297924f74c1c4ba59c19c57f3bbc91d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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