Ethanol → N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-N-(2-methoxyethyl)acetamide

Reaction equation

[CH3:24][CH2:25][OH:26].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][C:34]([O:35][C:36](=[O:37])[CH3:38])=[O:39].[Cl:6][C:7]1=[C:16]([NH:17][CH2:18][CH2:19][O:20][CH3:21])[C:15](=[O:22])[c:14]2[c:9]([cH:10][cH:11][cH:12][cH:13]2)[C:8]1=[O:23].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[Cl:6][C:7]1=[C:16]([N:17]([CH2:18][CH2:19][O:20][CH3:21])[C:25]([CH3:24])=[O:26])[C:15](=[O:22])[c:14]2[c:9]([cH:10][cH:11][cH:12][cH:13]2)[C:8]1=[O:23]

Participants

Reactant 5

HCID 702Ethanol

HCID 1118Sulfuric Acid

HCID 7918Acetic Anhydride

HCID 8857Ethyl Acetate

HCID 2601782-Chloro-3-[(2-methoxyethyl)amino]naphthalene-1,4-dione

Product 1

HCID 12987498N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-N-(2-methoxyethyl)acetamide

Sources & evidence

ORD record: ord-0bd9ef06e2944f47aeb211edc5e70c47
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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