Thionyl Chloride → HCID 178428744, compound

Reaction equation

[CH3:11][c:12]1[c:13]([N:21]=[C:22]=[S:23])[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]1.[CH3:1][C:2]([CH2:3][NH2:4])([CH3:5])[OH:6].[S:7]([Cl:8])([Cl:9])=[O:10]>>[CH3:1][C:2]1([CH3:5])[CH2:3][NH:4][C:22](=[N:21][c:13]2[c:12]([CH3:11])[cH:17][c:16]([N+:18](=[O:19])[O-:20])[cH:15][cH:14]2)[S:23]1

Participants

Reactant 3

HCID 24386Thionyl Chloride

HCID 951022-Propanol, 1-amino-2-methyl-

HCID 1456212-Methyl-4-nitrophenyl isothiocyanate

Product 1

HCID 178428744HCID 178428744, compound

Sources & evidence

ORD record: ord-fbddecc8e77546ea96b3f7c75f5af489
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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