1,4-Dioxane → 3-[5-[(3-Cyclopropyl-1-methylsulfanyl-3-oxoprop-1-enyl)amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one

HRID 2131119Notes

Reaction equation

HRID 2131119 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH:22]1([C:25]([CH:26]=[C:27]([S:28][CH3:29])[S:30][CH3:31])=[O:32])[CH2:23][CH2:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]3[cH:12][c:13]([CH3:18])[n:14][cH:15][c:16]3[cH:17]2)[cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]3[cH:12][c:13]([CH3:18])[n:14][cH:15][c:16]3[cH:17]2)[cH:7]1)[C:27](=[CH:26][C:25]([CH:22]1[CH2:23][CH2:24]1)=[O:32])[S:28][CH3:29]

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 581806291-Cyclopropyl-3,3-bis(methylthio)prop-2-en-1-oneHCID 592123103-(5-amino-2-methylphenyl)-1,7-dimethyl-1,6-naphthyridin-2(1H)-one

Product 1

HCID 668197133-[5-[(3-Cyclopropyl-1-methylsulfanyl-3-oxoprop-1-enyl)amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one

Sources & evidence

ORD record
ord-3f7e89aa29494c5194fd4ffae74710d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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