Dichloromethane → 2-(2-Hydroxy-ethyl)-7-piperazin-1yl-isoquinolin-1-one

HRID 151284Notes

Reaction equation

HRID 151284 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]3[cH:18][cH:19][n:20]([CH2:25][CH2:26][OH:27])[c:21](=[O:24])[c:22]3[cH:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:28]([Cl:29])[Cl:30].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]3[cH:18][cH:19][n:20]([CH2:25][CH2:26][OH:27])[c:21](=[O:24])[c:22]3[cH:23]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 592381654-[2-(2-Hydroxy-ethyl)-1-oxo-1,2-dihydro-isoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 592382052-(2-Hydroxy-ethyl)-7-piperazin-1yl-isoquinolin-1-one

Sources & evidence

ORD record
ord-23ba80b45f06442ba9dc2300e908c369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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