3,4-Dichlorobenzenethiol → 6-[5-(3,4-dichlorophenylmercapto)-pentoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

HRID 679039Notes

Reaction equation

HRID 679039 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:20]1)[C:13]([CH3:18])([CH3:19])[O:14][C:15](=[O:17])[NH:16]2.[Cl:21][c:22]1[cH:23][c:24]([SH:29])[cH:25][cH:26][c:27]1[Cl:28]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:20]1)[C:13]([CH3:18])([CH3:19])[O:14][C:15](=[O:17])[NH:16]2)[S:29][c:24]1[cH:23][c:22]([Cl:21])[c:27]([Cl:28])[cH:26][cH:25]1

Participants

3

Reactant 2

HCID 799643,4-DichlorobenzenethiolHCID 132604896-(5-bromopentoxy)-4,4-dimethyl-4H-3,1-benzoxazin-2-one

Product 1

HCID 132605446-[5-(3,4-dichlorophenylmercapto)-pentoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

Sources & evidence

ORD record
ord-07bf28ae2b4a4c0984a4a4e01d8b3d40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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