Chloride → 1-Methyl-2-nitrodibenzothiophene

Reaction equation

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:18][Mg+:19].[Cl-:17].[Cl:20][C:21]1=[C:32]([Cl:33])[C:30](=[O:31])[C:27]([C:28]#[N:29])=[C:24]([C:25]#[N:26])[C:22]1=[O:23].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([s:8][c:9]3[c:10]2[cH:11][cH:12][cH:13][cH:14]3)[cH:15][cH:16]1.[OH2:39]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH3:21])[c:6]2[c:7]([s:8][c:9]3[c:10]2[cH:11][cH:12][cH:13][cH:14]3)[cH:15][cH:16]1

Participants

Reactant 6

HCID 312Chloride

HCID 962Water

HCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinone

HCID 8028Tetrahydrofuran

HCID 950722-Nitrodibenzothiophene

HCID 178477777HCID 178477777, compound

Product 1

HCID 222777981-Methyl-2-nitrodibenzothiophene

Sources & evidence

ORD record: ord-0aca0e36df964b4bad2e48ce86564deb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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