2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione → Chloride

HRID 2130158Notes

Reaction equation

HRID 2130158 reaction equation
[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:19]1)[N:8]([CH2:16][O:17][CH3:18])[c:9]1[c:10]([n:12][cH:13][cH:14][n:15]1)[S:11]2.[n:20]1[cH:21][c:22]([CH2:26][N:27]2[C:28](=[O:37])[c:29]3[c:30]([cH:33][cH:34][cH:35][cH:36]3)[C:31]2=[O:32])[cH:23][cH:24][cH:25]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:19]1)[N:8]([CH2:16][O:17][CH3:18])[c:9]1[c:10]([n:12][cH:13][cH:14][n:15]1)[S:11]2)[n+:20]1[cH:21][c:22]([CH2:26][N:27]2[C:28](=[O:37])[c:29]3[c:30]([cH:33][cH:34][cH:35][cH:36]3)[C:31]2=[O:32])[cH:23][cH:24][cH:25]1.[Cl-:1]

Participants

4

Reactant 2

HCID 7094552-(Pyridin-3-ylmethyl)isoindoline-1,3-dioneHCID 1133536310-methoxymethyl-8-chloromethyl-10H-pyrazino[2,3-b][1,4]benzothiazine

Product 2

HCID 312ChlorideHCID 186702372-[[1-[[10-(Methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]pyridin-1-ium-3-yl]methyl]isoindole-1,3-dione

Sources & evidence

ORD record
ord-21f2d4449ab64cb589efde879021fd4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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