Acetonitrile → Tert-butyl 4-{[(7-chloro-3,4-dioxo-3,4-dihydronaphthalen-1-yl)thio]methyl}-4-hydroxypiperidine-1-carboxylate

HRID 2332290Notes

Reaction equation

HRID 2332290 reaction equation
[CH3:30][C:31]#[N:32].[Cl:17][c:18]1[cH:19][c:20]2[c:25]([cH:26][cH:27]1)[C:24](=[O:28])[C:23](=[O:29])[CH:22]=[CH:21]2.[OH:1][C:2]1([CH2:15][SH:16])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1>>[OH:1][C:2]1([CH2:15][S:16][C:21]2=[CH:22][C:23](=[O:29])[C:24](=[O:28])[c:25]3[c:20]2[cH:19][c:18]([Cl:17])[cH:27][cH:26]3)[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 203740386-Chloronaphthalene-1,2-dioneHCID 53438219Tert-butyl 4-hydroxy-4-(mercaptomethyl)piperidine-1-carboxylate

Product 1

HCID 67437890Tert-butyl 4-{[(7-chloro-3,4-dioxo-3,4-dihydronaphthalen-1-yl)thio]methyl}-4-hydroxypiperidine-1-carboxylate

Sources & evidence

ORD record
ord-4c364279054b4ec4a54b234f771a15f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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