Bicarbonate Ion → 2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitro-2,3-dihydroisoindol-1-one

HRID 169581

Reaction equation

[Br:14][CH2:15][c:16]1[c:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:23][cH:24][cH:25][c:26]1[N+:27](=[O:28])[O-:29].[CH2:1]1[N:2]([CH2:11][CH2:12][NH2:13])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[Cl:35][CH2:36][Cl:37].[Na+:34].[O-:30][C:31]([OH:32])=[O:33]>>[CH2:1]1[N:2]([CH2:11][CH2:12][N:13]2[CH2:15][c:16]3[c:17]([cH:23][cH:24][cH:25][c:26]3[N+:27](=[O:28])[O-:29])[C:18]2=[O:19])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

Reactant 5

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 407422-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine

HCID 19788106Ethyl 2-(bromomethyl)-3-nitrobenzoate

Product 1

HCID 589581672-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitro-2,3-dihydroisoindol-1-one

Sources & evidence

ORD record: ord-b5cc74969a4a42b69047db8742ee5687
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

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